Geometry & MOs

Info

ID:	60737
PubChem CID:	26697529
Reduced:	SN3O3C23H30 (1)
Stoich.:	AB3C3D23E30 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-62.92
Dipole, Da:	7.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.987333
Charge, e:	0

Chem-info

IUPAC name:

3-(4-benzylpiperazin-1-yl)sulfonyl-N-cyclopentylbenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

DOS

IR

Vibrations