Geometry & MOs

Info

ID:	148461
PubChem CID:	53788123
Reduced:	ClNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	294.179522
ΔH_f, kcal/mol:	-51.02
Dipole, Da:	5.51
IP(EA), eV:	-8.77(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CC1=C2CN(CCC3=C(C=CC(=C32)S1)Cl)C)C(=O)O

DOS

IR

Vibrations