Geometry & MOs

Info

ID:	51032
PubChem CID:	12013647
Reduced:	SO2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	270.071451
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	4.46
IP(EA), eV:	-8.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfinyl)-4,5-dihydro-1-benzoxepine

Drug info:

PubChemData

Smile

C1COC(=CCC1C2=CC=CC=C2)S(=O)C3=CC=CC=C3

DOS

IR

Vibrations