Geometry & MOs

Info

ID:	302574
PubChem CID:	124385146
Reduced:	SN4O8C21H30 (1)
Stoich.:	AB4C8D21E30 (1)
Weight, g/mol:	349.240565
ΔH_f, kcal/mol:	-311.16
Dipole, Da:	3.92
IP(EA), eV:	-9.27(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,8S,9R,10R,13S,14R)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)[C@H](CSC(=O)N(C1=CC=CC=C1)O)NC(=O)CC[C@H](C(=O)OCC)N

DOS

IR

Vibrations