Geometry & MOs

Info

ID:	177013
PubChem CID:	76125563
Reduced:	OC11H17 (2)
Stoich.:	AB11C17 (2)
Weight, g/mol:	646.568882
ΔH_f, kcal/mol:	-103.6
Dipole, Da:	3.32
IP(EA), eV:	-8.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] octadec-9-enoate

Drug info:

PubChemData

Smile

CC.CC1CCC(CC1)C2=CC=C(C=C2)C=CC3OCC(CO3)C

DOS

IR

Vibrations