Geometry & MOs

Info

ID:	389023
PubChem CID:	134990924
Reduced:	ClFN2O2C19H20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	378.220638
ΔH_f, kcal/mol:	-97.21
Dipole, Da:	4.28
IP(EA), eV:	-8.91(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2F

DOS

IR

Vibrations