Geometry & MOs

Info

ID:	52761
PubChem CID:	12015880
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	546.22061
ΔH_f, kcal/mol:	-102.55
Dipole, Da:	1.74
IP(EA), eV:	-9.49(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (E)-7-[(1R,2R,3R)-3-(iodomethyl)-5-oxo-2-(3-oxodecyl)cyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

COC(=O)[C@](C1CCCC=C1)(C2=CC=CC=C2)O

DOS

IR

Vibrations