Geometry & MOs

Info

ID:	305236
PubChem CID:	124767746
Reduced:	SN2O4H28C30 (1)
Stoich.:	AB2C4D28E30 (1)
Weight, g/mol:	376.26136
ΔH_f, kcal/mol:	-83.03
Dipole, Da:	1.13
IP(EA), eV:	-8.44(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5S,8S,9R,10S,13S,14R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-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

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)SC3=CC=C(C=C3)N4C(=O)[C@@H]5CC=CC[C@H]5C4=O

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

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)SC3=CC=C(C=C3)N4C(=O)[C@@H]5CC=CC[C@H]5C4=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):