Geometry & MOs

Info

ID:	359026
PubChem CID:	127297270
Reduced:	SN3O3C11H17 (1)
Stoich.:	AB3C3D11E17 (1)
Weight, g/mol:	362.104876
ΔH_f, kcal/mol:	-89.08
Dipole, Da:	9.62
IP(EA), eV:	-10.02(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(cyclopropyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)CCC(=O)NC(C#N)C2CC2

DOS

IR

Vibrations