Geometry & MOs

Info

ID:	401612
PubChem CID:	135051827
Reduced:	SeO2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	474.03301
ΔH_f, kcal/mol:	-22.56
Dipole, Da:	4.2
IP(EA), eV:	-8.57(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(E)-2-(4-ethoxycarbonyl-2-selenocyanatophenyl)ethenyl]-2-nitrobenzoate

Drug info:

PubChemData

Smile

C[Se]C1=CC=CC=C1/C(=C/C2=CC=CC=C2)/C(=O)O

DOS

IR

Vibrations