Geometry & MOs

Info

ID:	274448
PubChem CID:	103809422
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	269.062283
ΔH_f, kcal/mol:	80.77
Dipole, Da:	4.95
IP(EA), eV:	-8.79(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(1,3-benzothiazol-6-yl)benzamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2)CC(=O)NC3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations