Geometry & MOs

Info

ID:	189776
PubChem CID:	77903411
Reduced:	BrSN2O2H7C10 (1)
Stoich.:	ABC2D2E7F10 (1)
Weight, g/mol:	369.243457
ΔH_f, kcal/mol:	8.58
Dipole, Da:	4.95
IP(EA), eV:	-9.75(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;hydrochloride

Drug info:

PubChemData

Smile

C1=CSC=C1C(=O)CC2=NC(=O)N=CC2Br

DOS

IR

Vibrations