Geometry & MOs

Info

ID:	123155
PubChem CID:	50835502
Reduced:	ClS2N3O4H16C22 (1)
Stoich.:	AB2C3D4E16F22 (1)
Weight, g/mol:	471.047812
ΔH_f, kcal/mol:	-63.59
Dipole, Da:	3.47
IP(EA), eV:	-8.98(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]sulfamoyl]-2-chlorophenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)N(C(=O)O5)C)Cl

DOS

IR

Vibrations