Geometry & MOs

Info

ID:	265853
PubChem CID:	103554725
Reduced:	SN3O4C8H11 (1)
Stoich.:	AB3C4D8E11 (1)
Weight, g/mol:	341.00112
ΔH_f, kcal/mol:	-71.09
Dipole, Da:	10.04
IP(EA), eV:	-9.78(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-4-methoxyphenoxy)-1,2-dimethyl-4-nitroimidazole

Drug info:

PubChemData

Smile

CC1=NC(=C(N1C)SC(C)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations