Geometry & MOs

Info

ID:

425089

PubChem CID:

135125143

Reduced:

O3N6C28H36 (1)

Stoich.:

A3B6C28D36 (1)

Weight, g/mol:

556.18683

ΔHf, kcal/mol:

-39.86

Dipole, Da:

9.16

IP(EA), eV:

 -8.82(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-3-[2-[2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-1,3-thiazol-5-yl]ethynyl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CCN1C2=NC(=NC=C2COC1=O)NC(C)C3=CC=C(C=C3)C(CC4CC4)N5CCN(CC5)C(=O)C=C

DOS

IR

Vibrations