Geometry & MOs

Info

ID:

379678

PubChem CID:

134455976

Reduced:

SO4N7C30H37 (1)

Stoich.:

AB4C7D30E37 (1)

Weight, g/mol:

559.18133

ΔHf, kcal/mol:

-96.66

Dipole, Da:

7.71

IP(EA), eV:

 -8.42(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(difluoromethyl)-7-[4-[1-(3-methoxypropyl)pyrazol-3-yl]-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C)NC2=NC3=C(C(=C2)NC4=C(C=C(C=C4)C5CCCCO5)S(=O)(=O)C)N=C(N3C6CCCCO6)C

DOS

IR

Vibrations