Geometry & MOs

Info

ID:	184493
PubChem CID:	77168700
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	756.2787
ΔH_f, kcal/mol:	-166.54
Dipole, Da:	2.28
IP(EA), eV:	-8.28(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2CC(CCC2NC(=O)C3=CN=C(N=C3)SC)OC(=O)C)OC

DOS

IR

Vibrations