Geometry & MOs

Info

ID:	149477
PubChem CID:	53789150
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	354.067428
ΔH_f, kcal/mol:	-106.88
Dipole, Da:	2.41
IP(EA), eV:	-9.59(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dimethylbenzoic acid

Drug info:

PubChemData

Smile

CCCC=C(CCC)C(=O)OCCN

DOS

IR

Vibrations