Geometry & MOs

Info

ID:	181756
PubChem CID:	76789951
Reduced:	ClNSO4C22H26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	356.129156
ΔH_f, kcal/mol:	-120.57
Dipole, Da:	7.89
IP(EA), eV:	-9.99(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(3-chloro-2-oxo-3H-pyridin-6-yl)-2-cyclopentylethenyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C=C1C=CC(=NC1=O)C(CC2CCCC2)C3=CC(=C(C=C3)S(=O)(=O)CCCO)Cl

DOS

IR

Vibrations