Geometry & MOs

Info

ID:	407109
PubChem CID:	135079347
Reduced:	SO2H12C15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-10.14
Dipole, Da:	3.69
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-benzylidene-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C=O

DOS

IR

Vibrations