Geometry & MOs

Info

ID:	186216
PubChem CID:	77405406
Reduced:	SN2F3O3C25H31 (1)
Stoich.:	AB2C3D3E25F31 (1)
Weight, g/mol:	374.235814
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	3.55
IP(EA), eV:	-8.15(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CC(=CN=C5)NS(=O)(=O)C(F)(F)F)C)O

DOS

IR

Vibrations