Geometry & MOs

Info

ID:	49191
PubChem CID:	11528880
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	248.050715
ΔH_f, kcal/mol:	-37.36
Dipole, Da:	4.56
IP(EA), eV:	-9.34(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-benzylsulfonylethenyl]furan

Drug info:

PubChemData

Smile

CC(=C([C@H]1[C@H]2[C@@H]1[C@H]3C[C@@H]2C[C@@H]3C#N)OC(=O)C)C

DOS

IR

Vibrations