Geometry & MOs

Info

ID:	361096
PubChem CID:	127301986
Reduced:	ClSO2N3C18H24 (1)
Stoich.:	ABC2D3E18F24 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-95.98
Dipole, Da:	2.73
IP(EA), eV:	-8.69(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Cl

DOS

IR

Vibrations