Geometry & MOs

Info

ID:	264113
PubChem CID:	103429387
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	277.052112
ΔH_f, kcal/mol:	-65.07
Dipole, Da:	0.81
IP(EA), eV:	-9.05(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoyl)benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)N(C)C1=CC=CC=N1)O

DOS

IR

Vibrations