Geometry & MOs

Info

ID:	213546
PubChem CID:	81064099
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	272.083078
ΔH_f, kcal/mol:	-137.86
Dipole, Da:	3.1
IP(EA), eV:	-9.4(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(C)CC(=O)O)C

DOS

IR

Vibrations