Geometry & MOs

Info

ID:	16352
PubChem CID:	465124
Reduced:	SN3O5C13H13 (1)
Stoich.:	AB3C5D13E13 (1)
Weight, g/mol:	323.057592
ΔH_f, kcal/mol:	-92.69
Dipole, Da:	8.44
IP(EA), eV:	-9.95(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-nitroanilino)-4-oxo-1,3-thiazol-5-yl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC(=O)C(S2)CCCC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations