Geometry & MOs

Info

ID:	149661
PubChem CID:	53789335
Reduced:	ClFSN2O4H10C12 (1)
Stoich.:	ABCD2E4F10G12 (1)
Weight, g/mol:	374.24571
ΔH_f, kcal/mol:	-165.89
Dipole, Da:	2.36
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,10R,13S,14S,17S)-17-(2,2-dimethoxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC2=C(N(C(=O)N21)C3=C(C=C(C=C3)Cl)F)O

DOS

IR

Vibrations