Geometry & MOs

Info

ID:	395117
PubChem CID:	135024685
Reduced:	O4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	305.058549
ΔH_f, kcal/mol:	-149.16
Dipole, Da:	4.9
IP(EA), eV:	-8.48(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)[C@@]2(CC(=O)CC2(C)C)C=O)OC

DOS

IR

Vibrations