Geometry & MOs

Info

ID:	128616
PubChem CID:	51052292
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	228.056863
ΔH_f, kcal/mol:	-109.71
Dipole, Da:	4.9
IP(EA), eV:	-8.65(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)OC)NC(=O)C1=CC2=C(C=C1)C=CN2C

DOS

IR

Vibrations