Geometry & MOs

Info

ID:	150004
PubChem CID:	53789688
Reduced:	NOC6H7 (1)
Stoich.:	ABC6D7 (1)
Weight, g/mol:	668.610746
ΔH_f, kcal/mol:	22.62
Dipole, Da:	1.86
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=CC=C)C#N

DOS

IR

Vibrations