Geometry & MOs

Info

ID:	264811
PubChem CID:	103492687
Reduced:	BrN3O3C9H12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	248.002241
ΔH_f, kcal/mol:	-86.48
Dipole, Da:	6.15
IP(EA), eV:	-9.9(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-3-(1,3-thiazole-4-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NCC(C(=O)OC)Br

DOS

IR

Vibrations