Geometry & MOs

Info

ID:	413737
PubChem CID:	135086687
Reduced:	OPH19C21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	314.134051
ΔH_f, kcal/mol:	12.81
Dipole, Da:	5.21
IP(EA), eV:	-9.04(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-phenylhex-1-enyl]sulfonylmethylbenzene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations