Geometry & MOs

Info

ID:	401564
PubChem CID:	135051656
Reduced:	SeO2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	315.00098
ΔH_f, kcal/mol:	-9.6
Dipole, Da:	3.7
IP(EA), eV:	-8.39(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(2-methylselanyl-5-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C\2/C(=O)C3=CC=CC=C3[Se]2

DOS

IR

Vibrations