Geometry & MOs

Info

ID:	356680
PubChem CID:	127292161
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	395.199111
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	1.91
IP(EA), eV:	-9.33(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)NC(=O)N3CCCCC3C4=NC=CN4

DOS

IR

Vibrations