Geometry & MOs

Info

ID:	356763
PubChem CID:	127292303
Reduced:	ON6C18H32 (1)
Stoich.:	AB6C18D32 (1)
Weight, g/mol:	395.199111
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	2.34
IP(EA), eV:	-8.44(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NC(C)C3=C(N(N=C3)C)C

DOS

IR

Vibrations