Geometry & MOs

Info

ID:

426090

PubChem CID:

135136955

Reduced:

ClOSN9H24C25 (1)

Stoich.:

ABCD9E24F25 (1)

Weight, g/mol:

564.121226

ΔHf, kcal/mol:

102.57

Dipole, Da:

6.86

IP(EA), eV:

 -8.92(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-6-[[(Z)-ethylideneamino]-(methylideneamino)amino]pyridin-3-yl]-1-[1-(1,1-difluoroethyl)isoquinolin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C(=O)NC2CCCC(C2)NC3=NC(=NC(=C3)C4=CC=CS4)C5=CNC6=NC=C(N=C56)Cl

DOS

IR

Vibrations