Geometry & MOs

Info

ID:	223535
PubChem CID:	85335195
Reduced:	S2O5C20H32 (1)
Stoich.:	A2B5C20D32 (1)
Weight, g/mol:	416.329045
ΔH_f, kcal/mol:	-240.53
Dipole, Da:	5.66
IP(EA), eV:	-9.09(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-[4-(3,3-dimethyloxiran-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol

Drug info:

PubChemData

Smile

COC(=O)CSCCCSC1C(C(CC1=O)O)C=CC(CC2CCCC2)O

DOS

IR

Vibrations