Geometry & MOs

Info

ID:	189442
PubChem CID:	77856889
Reduced:	ClOF3N3C15H17 (1)
Stoich.:	ABC3D3E15F17 (1)
Weight, g/mol:	378.201737
ΔH_f, kcal/mol:	-179.25
Dipole, Da:	3.91
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-2-phenylsulfanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2C=C3C=CC=C(C3=NC2=O)C(F)(F)F.Cl

DOS

IR

Vibrations