Geometry & MOs

Info

ID:	140007
PubChem CID:	52629455
Reduced:	O4N5C24H31 (1)
Stoich.:	A4B5C24D31 (1)
Weight, g/mol:	473.258637
ΔH_f, kcal/mol:	-55.91
Dipole, Da:	4.95
IP(EA), eV:	-8.06(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(diethylsulfamoyl)-N-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)[C@H](C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations