Geometry & MOs

Info

ID:	49522
PubChem CID:	11533172
Reduced:	SiO2C32H40 (1)
Stoich.:	AB2C32D40 (1)
Weight, g/mol:	484.391646
ΔH_f, kcal/mol:	-55.63
Dipole, Da:	2.31
IP(EA), eV:	-8.93(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(1-oxopropan-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate

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

C[C@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)/C=C/[C@H](CC=C)OCC3=CC=CC=C3

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

C[C@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)/C=C/[C@H](CC=C)OCC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):