Geometry & MOs

Info

ID:	4636
PubChem CID:	11785
Reduced:	OC17H25 (2)
Stoich.:	AB17C25 (2)
Weight, g/mol:	490.381081
ΔH_f, kcal/mol:	-141.28
Dipole, Da:	2.38
IP(EA), eV:	-9.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C

DOS

IR

Vibrations