Geometry & MOs

Info

ID:	132268
PubChem CID:	51332903
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-42.94
Dipole, Da:	3.98
IP(EA), eV:	-8.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations