Geometry & MOs

Info

ID:	25478
PubChem CID:	625587
Reduced:	ON2H20C25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	388.26136
ΔH_f, kcal/mol:	88.94
Dipole, Da:	2.02
IP(EA), eV:	-9.05(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Drug info:

PubChemData

Smile

COC1=NC(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C=CC4=CC=CC=C4

DOS

IR

Vibrations