Geometry & MOs

Info

ID:	45147
PubChem CID:	10508422
Reduced:	SiN3O4C39H45 (1)
Stoich.:	AB3C4D39E45 (1)
Weight, g/mol:	650.418254
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	4.6
IP(EA), eV:	-9.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3aS,5aR,5bR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-(3,4,5-trimethoxybenzoyl)oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C(=C(C=C1)N(C)C(=O)CNC(=O)/C=C/C2=CC=C(C=C2)C(=O)NC)C)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C(=C(C=C1)N(C)C(=O)CNC(=O)/C=C/C2=CC=C(C=C2)C(=O)NC)C)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):