Geometry & MOs

Info

ID:	232085
PubChem CID:	87575419
Reduced:	SSeO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-82.55
Dipole, Da:	5.2
IP(EA), eV:	-8.92(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(E)-4-hydroxybut-2-en-2-yl]oxybut-2-en-1-ol

Drug info:

PubChemData

Smile

COS(=O)(=O)C1=C2C=C[Se]C2=CC=C1

DOS

IR

Vibrations