Geometry & MOs

Info

ID:	338437
PubChem CID:	127259129
Reduced:	SeN2O3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	336.049001
ΔH_f, kcal/mol:	-53.43
Dipole, Da:	5.58
IP(EA), eV:	-8.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-bis[(4-hydroxyphenyl)sulfanyl]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC[Se]C1=C(N=CN1C2=CC=CC=C2)C=O

DOS

IR

Vibrations