Geometry & MOs

Info

ID:	314112
PubChem CID:	126620464
Reduced:	SO3N5C13H15 (1)
Stoich.:	AB3C5D13E15 (1)
Weight, g/mol:	448.237785
ΔH_f, kcal/mol:	-20.12
Dipole, Da:	6.56
IP(EA), eV:	-8.64(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]phenyl]ethyl]-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene

Drug info:

PubChemData

Smile

CC1=NN(C=C1C2=CC=C(O2)C3=NC(=NN3)SCC(O)O)C

DOS

IR

Vibrations