Geometry & MOs

Info

ID:	78087
PubChem CID:	49681651
Reduced:	S2N3O4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	447.108662
ΔH_f, kcal/mol:	-83.07
Dipole, Da:	9.19
IP(EA), eV:	-8.67(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-3-prop-2-enyl-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(S2)C=C(C=C3)OC)CC=C

DOS

IR

Vibrations