Geometry & MOs

Info

ID:	140008
PubChem CID:	52629456
Reduced:	SO3N4C25H37 (1)
Stoich.:	AB3C4D25E37 (1)
Weight, g/mol:	472.250812
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	7.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752326
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N(CC)CC

DOS

IR

Vibrations