Geometry & MOs

Info

ID:	60851
PubChem CID:	26702628
Reduced:	NO4H19C22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	467.097349
ΔH_f, kcal/mol:	-90.05
Dipole, Da:	2.46
IP(EA), eV:	-8.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(methylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations