Geometry & MOs

Info

ID:	351401
PubChem CID:	127280289
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	394.167477
ΔH_f, kcal/mol:	-103.37
Dipole, Da:	3.96
IP(EA), eV:	-8.74(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C(=O)C2=CC(=CC=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations