Geometry & MOs

Info

ID:	43619
PubChem CID:	10321552
Reduced:	ClSN4O4C20H23 (1)
Stoich.:	ABC4D4E20F23 (1)
Weight, g/mol:	450.112854
ΔH_f, kcal/mol:	-126.99
Dipole, Da:	4.27
IP(EA), eV:	-8.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-methylsulfonylphenyl)-3-[(2Z)-2-methoxyiminocyclopentyl]-N-pyrazin-2-ylpropanamide

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2=O)NC(=O)NC3=CC=C(S3)Cl

DOS

IR

Vibrations