Geometry & MOs

Info

ID:	78041
PubChem CID:	49681588
Reduced:	S2N3O4C20H23 (1)
Stoich.:	A2B3C4D20E23 (1)
Weight, g/mol:	421.093012
ΔH_f, kcal/mol:	-91.52
Dipole, Da:	12.18
IP(EA), eV:	-8.83(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)OC)C

DOS

IR

Vibrations