Geometry & MOs

Info

ID:	22825
PubChem CID:	598953
Reduced:	ClSO2N3H8C10 (1)
Stoich.:	ABC2D3E8F10 (1)
Weight, g/mol:	269.002575
ΔH_f, kcal/mol:	41.5
Dipole, Da:	3.95
IP(EA), eV:	-8.88(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-nitrophenyl)sulfanyl-1-methylimidazole

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations