Geometry & MOs

Info

ID:

439465

PubChem CID:

135229239

Reduced:

OH6C7 (10)

Stoich.:

AB6C7 (10)

Weight, g/mol:

401.113331

ΔHf, kcal/mol:

-155.92

Dipole, Da:

3.01

IP(EA), eV:

 -8.76(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(E)-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)iminomethyl]-2-(trifluoromethyl)pyridin-4-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3C=CC(=C3)C4=CC=C(C=C4)OC(=O)C(=C)C)C5=C(C=CC(=C5)C6=CC=C(C=C6)OC(=O)C(=C)C)OC(=O)C(=C)C)C7=C(C=CC(=C7)C8=CC=C(C=C8)OC(=O)C(=C)C)OC(=O)C(=C)C

DOS

IR

Vibrations