Geometry & MOs

Info

ID:	217376
PubChem CID:	85087720
Reduced:	FNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	358.178024
ΔH_f, kcal/mol:	-157.79
Dipole, Da:	6.3
IP(EA), eV:	-8.82(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10,13-dimethyl-3,6,17-trioxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-7-yl) acetate

Drug info:

PubChemData

Smile

CC1(C2CC1C3(C(=NC(C(=O)O3)CC4=CC5=C(C=C4F)OCO5)C2)C)C

DOS

IR

Vibrations