Geometry & MOs

Info

ID:	51031
PubChem CID:	12013646
Reduced:	SO2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	298.102751
ΔH_f, kcal/mol:	-44.89
Dipole, Da:	4.71
IP(EA), eV:	-8.34(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(benzenesulfinyl)-4-phenyl-2,3,4,5-tetrahydrooxepine

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](OC(=C1)S(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations