Geometry & MOs

Info

ID:	124352
PubChem CID:	50880150
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	375.0041
ΔH_f, kcal/mol:	5.68
Dipole, Da:	3.76
IP(EA), eV:	-8.25(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-3-bromobenzamide

Drug info:

PubChemData

Smile

CC/C(=N\NC1=NC2=C(S1)C(=C(C(=C2)C)NC(=O)C3=CC4=CC=CC=C4C=C3OC)C)/C

DOS

IR

Vibrations