Geometry & MOs

Info

ID:	218251
PubChem CID:	85089090
Reduced:	S3O7C17H30 (1)
Stoich.:	A3B7C17D30 (1)
Weight, g/mol:	442.344695
ΔH_f, kcal/mol:	-335.51
Dipole, Da:	4.76
IP(EA), eV:	-8.65(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(6-methylheptan-2-yl)-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl] acetate

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2C(OC(O2)(C)C)C(CC3SCCCS3)OS(=O)(=O)C)C

DOS

IR

Vibrations