Geometry & MOs

Info

ID:	388330
PubChem CID:	134988814
Reduced:	SN2O3H6C7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	300.00534
ΔH_f, kcal/mol:	-1.19
Dipole, Da:	4.96
IP(EA), eV:	-9.46(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

Se-[2-(4-methylphenyl)ethynyl] benzenecarboselenoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)SN)[N+](=O)[O-]

DOS

IR

Vibrations