Geometry & MOs

Info

ID:	191918
PubChem CID:	78200873
Reduced:	O7C25H28 (1)
Stoich.:	A7B25C28 (1)
Weight, g/mol:	370.178024
ΔH_f, kcal/mol:	-259.99
Dipole, Da:	6.59
IP(EA), eV:	-8.8(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C=C3)O)O)O)C)C

DOS

IR

Vibrations