Geometry & MOs

Info

ID:	30405
PubChem CID:	841263
Reduced:	ClSN3O4H6C9 (1)
Stoich.:	ABC3D4E6F9 (1)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	-11.43
Dipole, Da:	0.85
IP(EA), eV:	-9.84(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyano-2-ethoxyphenyl) benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N2C=C(C=N2)Cl

DOS

IR

Vibrations