Geometry & MOs

Info

ID:	265111
PubChem CID:	103510640
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	294.078662
ΔH_f, kcal/mol:	-68.79
Dipole, Da:	4.02
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3-methylimidazole-4-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1C(=O)N2CC(C3=CC=CC=C32)CC(=O)O

DOS

IR

Vibrations