Geometry & MOs

Info

ID:	138272
PubChem CID:	52337096
Reduced:	O2N3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	396.114378
ΔH_f, kcal/mol:	9.9
Dipole, Da:	4.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796508
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-phenyl-1,3-thiazole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)OCC2=CC=CC=N2)NC(=O)C[NH+](C)CC3=CC=CC=C3

DOS

IR

Vibrations