Geometry & MOs

Info

ID:	158441
PubChem CID:	56463647
Reduced:	BrSN3O4C14H16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	445.134128
ΔH_f, kcal/mol:	-131.79
Dipole, Da:	5.01
IP(EA), eV:	-9.67(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-ethylsulfonylethyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br

DOS

IR

Vibrations