Geometry & MOs

Info

ID:

128080

PubChem CID:

51030372

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

486.119813

ΔHf, kcal/mol:

-114.92

Dipole, Da:

4.92

IP(EA), eV:

 -9.04(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4,4-dimethyl-3-[[6-(5-methyltetrazol-1-yl)pyridin-3-yl]methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=NN2C=CC=CC2=C1COC3=CC=C(C=C3)C(=O)NC[C@@H](C(=O)NO)N4CCCCN(CC4)C(=O)C(C)C

DOS

IR

Vibrations