Geometry & MOs

Info

ID:	128032
PubChem CID:	51027892
Reduced:	ClFNOC15H17 (1)
Stoich.:	ABCDE15F17 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	-86.34
Dipole, Da:	2.6
IP(EA), eV:	-9.2(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,17R)-3,7,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@@H]2CC(=O)NC3=C(C(=CC=C3)Cl)F

DOS

IR

Vibrations