Geometry & MOs

Info

ID:

128086

PubChem CID:

51030460

Reduced:

O2S2N6H18C23 (1)

Stoich.:

A2B2C6D18E23 (1)

Weight, g/mol:

557.116702

ΔHf, kcal/mol:

83.93

Dipole, Da:

8.57

IP(EA), eV:

 -9.03(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4,4-dimethyl-3-[[6-[(methyl-oxo-phenyl-lambda6-sulfanylidene)amino]pyridin-3-yl]methyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=CC=C2)N=C(N=C3NCC4=CC=CC=N4)C5=CN=C(S5)S(=O)(=O)N

DOS

IR

Vibrations