Geometry & MOs

Info

ID:	312937
PubChem CID:	126610173
Reduced:	SO2N4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	402.215907
ΔH_f, kcal/mol:	0.68
Dipole, Da:	6.7
IP(EA), eV:	-8.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-enyl-4-[4-[2-(4-but-3-enylphenyl)ethyl]phenyl]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CC(=O)CSC1=NNC(=N1)C2=CN=C(C=C2)OC

DOS

IR

Vibrations