Geometry & MOs

Info

ID:	268153
PubChem CID:	103598107
Reduced:	SN2O4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	356.104003
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	7.57
IP(EA), eV:	-9.12(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)C=CC3=CC=C(C=C3)OCC#N

DOS

IR

Vibrations