Geometry & MOs

Info

ID:	38581
PubChem CID:	8137135
Reduced:	N3O4H19C22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	420.146741
ΔH_f, kcal/mol:	-2.38
Dipole, Da:	3.35
IP(EA), eV:	-8.79(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]-4-oxobut-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)OCC(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations