Geometry & MOs

Info

ID:	413299
PubChem CID:	135086247
Reduced:	SO6C20H22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	314.02099
ΔH_f, kcal/mol:	-173.98
Dipole, Da:	5.29
IP(EA), eV:	-8.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-4-phenylselanylpent-2-ynal

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)CSCC(=O)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations