Geometry & MOs

Info

ID:	27223
PubChem CID:	819756
Reduced:	SN2O5H12C13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	276.066555
ΔH_f, kcal/mol:	-66.78
Dipole, Da:	5.11
IP(EA), eV:	-9.36(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethenylimidazol-2-yl)ethyl 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations