Geometry & MOs

Info

ID:	30076
PubChem CID:	839469
Reduced:	NCl2O3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	329.023705
ΔH_f, kcal/mol:	-70.62
Dipole, Da:	3.23
IP(EA), eV:	-9.51(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-5-nitrophenyl)sulfonyl-2-ethyl-4-methylimidazole

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C2=NC3=CC=CC=C3C(=O)O2)Cl

DOS

IR

Vibrations