Geometry & MOs

Info

ID:

59812

PubChem CID:

24898020

Reduced:

Si2O9C37H62 (1)

Stoich.:

A2B9C37D62 (1)

Weight, g/mol:

380.14193

ΔHf, kcal/mol:

-505.44

Dipole, Da:

1.23

IP(EA), eV:

 -8.89(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(3-pyridin-3-yloxypropylsulfanyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O[Si](C)(C)C(C)(C)C)OCC3=CC=CC=C3)C)O[C@H]4C=CC(=O)[C@@H](O4)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations