Geometry & MOs

Info

ID:	337084
PubChem CID:	127256649
Reduced:	SO2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-45.17
Dipole, Da:	6.56
IP(EA), eV:	-9.03(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-6-[(E)-4-phenylbut-1-enyl]pyran-2-one

Drug info:

PubChemData

Smile

C=C[C@H]1CCOC(=O)[C@@H]1SC2=CC=CC=C2

DOS

IR

Vibrations