Geometry & MOs

Info

ID:

379673

PubChem CID:

134455811

Reduced:

SF3O4N8C28H31 (1)

Stoich.:

AB3C4D8E28F31 (1)

Weight, g/mol:

453.172479

ΔHf, kcal/mol:

-192.9

Dipole, Da:

9.02

IP(EA), eV:

 -8.57(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(difluoromethyl)-7-[2-methoxy-4-(3-methylimidazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CN1C=NC=C1C2=CC(=C(C=C2)NC3=CC(=NC4=C3N=C(N4C5CCCCO5)C(F)F)NC(=O)[C@@H]6C[C@@H]6F)N(C)S(=O)(=O)C

DOS

IR

Vibrations