Geometry & MOs

Info

ID:	123261
PubChem CID:	50839812
Reduced:	N2S3O4C16H16 (1)
Stoich.:	A2B3C4D16E16 (1)
Weight, g/mol:	403.977077
ΔH_f, kcal/mol:	-99.69
Dipole, Da:	5.91
IP(EA), eV:	-8.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)C)C

DOS

IR

Vibrations