Geometry & MOs

Info

ID:	131964
PubChem CID:	51284524
Reduced:	SO2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	395.016511
ΔH_f, kcal/mol:	15.32
Dipole, Da:	7.77
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-3-[(2-chlorophenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations