Geometry & MOs

Info

ID:	17403
PubChem CID:	496058
Reduced:	O5C23H30 (1)
Stoich.:	A5B23C30 (1)
Weight, g/mol:	386.209324
ΔH_f, kcal/mol:	-232.04
Dipole, Da:	5.54
IP(EA), eV:	-9.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetyloxy-4,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C(=O)C=CC4(C)OC(=O)C)C

DOS

IR

Vibrations