Geometry & MOs

Info

ID:

439412

PubChem CID:

135229186

Reduced:

O3H22C28 (2)

Stoich.:

A3B22C28 (2)

Weight, g/mol:

469.175931

ΔHf, kcal/mol:

9.43

Dipole, Da:

3.56

IP(EA), eV:

 -8.7(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-ethylsulfonyl-1-methyl-2-(4-methylcyclohexyl)imidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

C#C/C=C\C(=C/CC(C1=CC=C(C=C1)C(C2C=CC(=C2)C3=CC=C(C=C3)O)C4=C(C=CC(=C4)C5=CC=C(C=C5)O)O)C6=C(C=CC(=C6)C7=CC=C(C=C7)O)O)\C8=CC=C(C=C8)O

DOS

IR

Vibrations