Geometry & MOs

Info

ID:	383641
PubChem CID:	134975482
Reduced:	SN2O6C8H8 (1)
Stoich.:	AB2C6D8E8 (1)
Weight, g/mol:	293.93099
ΔH_f, kcal/mol:	-137.07
Dipole, Da:	8.19
IP(EA), eV:	-10.12(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-bromo-5-nitro-1,3-thiazol-4-yl)propanoate

Drug info:

PubChemData

Smile

COC(=O)C(C1=NC=C(S1)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations