Geometry & MOs

Info

ID:	25194
PubChem CID:	620927
Reduced:	N2O4F6C15H16 (1)
Stoich.:	A2B4C6D15E16 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-473.78
Dipole, Da:	4.53
IP(EA), eV:	-9.4(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,16-decahydrocyclopenta[a]phenanthrene-3,15-dione

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)(NC1=CC=CC(=C1)C(F)(F)F)NC(=O)OCC

DOS

IR

Vibrations