Geometry & MOs

Info

ID:

379683

PubChem CID:

134456381

Reduced:

SF3O3N8C23H23 (1)

Stoich.:

AB3C3D8E23F23 (1)

Weight, g/mol:

516.259737

ΔHf, kcal/mol:

-120.19

Dipole, Da:

10.22

IP(EA), eV:

 -8.78(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[7-[3-(2,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(C=C2)NC3=CC(=NC4=C3NC(=N4)C(F)F)NC(=O)C5CC5F)N(C)S(=O)(=O)C

DOS

IR

Vibrations