Geometry & MOs

Info

ID:	1947
PubChem CID:	5409
Reduced:	O3C26H40 (1)
Stoich.:	A3B26C40 (1)
Weight, g/mol:	400.297745
ΔH_f, kcal/mol:	-192.82
Dipole, Da:	4.62
IP(EA), eV:	-9.75(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

DOS

IR

Vibrations