Geometry & MOs

Info

ID:

192903

PubChem CID:

78323505

Reduced:

ClF2O3N8C25H25 (1)

Stoich.:

AB2C3D8E25F25 (1)

Weight, g/mol:

516.123671

ΔHf, kcal/mol:

-63.38

Dipole, Da:

3.48

IP(EA), eV:

 -9.11(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-(3-chloropyridin-2-yl)-5-(difluoromethyl)pyrazole-3-carbonyl]amino]-N-[(2E)-2-methoxyiminoethyl]-5-methyl-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/OCC(C)C)NN=C2

DOS

IR

Vibrations