Geometry & MOs

Info

ID:	5417
PubChem CID:	13126
Reduced:	O2C13H19 (2)
Stoich.:	A2B13C19 (2)
Weight, g/mol:	414.27701
ΔH_f, kcal/mol:	-216.77
Dipole, Da:	7.38
IP(EA), eV:	-9.68(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C

DOS

IR

Vibrations