Geometry & MOs

Info

ID:

384080

PubChem CID:

134976304

Reduced:

H7C8 (4)

Stoich.:

A7B8 (4)

Weight, g/mol:

496.14905

ΔHf, kcal/mol:

220.87

Dipole, Da:

0.44

IP(EA), eV:

 -7.44(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-4-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]ethynyl]-3,6-dihydro-2H-pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C#CC2=CC(=C(C=C2C)/C=C/[C]3[CH][CH][CH][CH]3)C)C)/C=C/[C]4[CH][CH][CH][CH]4

DOS

IR

Vibrations