Geometry & MOs

Info

ID:	141135
PubChem CID:	52822550
Reduced:	S2N3O3C17H17 (1)
Stoich.:	A2B3C3D17E17 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	-51.22
Dipole, Da:	2.56
IP(EA), eV:	-9.14(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(=O)O[C@@H](C)C(=O)N(C)CC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations