Geometry & MOs

Info

ID:	406068
PubChem CID:	135076446
Reduced:	ON2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	289.077265
ΔH_f, kcal/mol:	43.33
Dipole, Da:	3.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.071782
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(4-methoxyphenyl)prop-1-enyl]sulfonylpyridine

Drug info:

PubChemData

Smile

C1[C@H](/[N+](=C/C2=CC=CC=C2)/NC1=O)C3=CC=CC=C3

DOS

IR

Vibrations