Geometry & MOs

Info

ID:	213182
PubChem CID:	81063129
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	324.060235
ΔH_f, kcal/mol:	-135.74
Dipole, Da:	3.17
IP(EA), eV:	-9.51(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1(CCCC1)C2=CC=CC=C2

DOS

IR

Vibrations