Geometry & MOs

Info

ID:

432284

PubChem CID:

135172417

Reduced:

S2N8O9C53H58 (1)

Stoich.:

A2B8C9D53E58 (1)

Weight, g/mol:

405.227709

ΔHf, kcal/mol:

-227.68

Dipole, Da:

7.98

IP(EA), eV:

 -9.04(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2-ethoxypyridin-3-yl)-2-N-methyl-3-(2-methylpropanimidoyl)-4-N-(pyrimidin-2-ylmethyl)pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)[C@@H](CCCC2=C(SC=N2)C3=CC=C(C=C3)CNC(=O)[C@@H]4[C@H]([C@H](CN4C(=O)[C@H](C(C)C)N5CC6=CC=CC=C6C5=O)O)O)C(=O)N7C[C@@H](C[C@H]7C(=O)NCC8=CC=C(C=C8)C9=C(N=CS9)C)O

DOS

IR

Vibrations