Geometry & MOs

Info

ID:	288914
PubChem CID:	104328401
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	-71.61
Dipole, Da:	6.84
IP(EA), eV:	-8.79(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC2=CC(=C(C=C2)C(=O)O)C

DOS

IR

Vibrations