Geometry & MOs

Info

ID:

192902

PubChem CID:

78323504

Reduced:

ClF2O3N8H23C28 (1)

Stoich.:

AB2C3D8E23F28 (1)

Weight, g/mol:

558.170621

ΔHf, kcal/mol:

-18.18

Dipole, Da:

4.06

IP(EA), eV:

 -9.15(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-(3-chloropyridin-2-yl)-5-(difluoromethyl)pyrazole-3-carbonyl]amino]-5-methyl-N-[(2E)-2-(2-methylpropoxyimino)ethyl]-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1NC(=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)C(F)F)C(=O)NC/C=N/OCC5=CC=CC=C5)NN=C2

DOS

IR

Vibrations