Geometry & MOs

Info

ID:

429883

PubChem CID:

135169937

Reduced:

ClO2F3N6H18C23 (1)

Stoich.:

AB2C3D6E18F23 (1)

Weight, g/mol:

562.109163

ΔHf, kcal/mol:

-130.51

Dipole, Da:

8.33

IP(EA), eV:

 -9.01(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-amino-2-[amino-[3-chloro-5-[[1-(1-methoxyisoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridin-2-yl]amino]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=C(C=C(C=N2)NC(=O)/C(=C/N)/C(=NC3=CN=CC4=CC=CC=C43)C(F)(F)F)Cl

DOS

IR

Vibrations