Geometry & MOs

Info

ID:	56631
PubChem CID:	17487268
Reduced:	ClSO2N3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	476.138196
ΔH_f, kcal/mol:	-17.26
Dipole, Da:	4.2
IP(EA), eV:	-9.33(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1CC1N2CC(CC2=O)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations