Geometry & MOs

Info

ID:

379675

PubChem CID:

134455905

Reduced:

FSO5N6C28H33 (1)

Stoich.:

ABC5D6E28F33 (1)

Weight, g/mol:

455.162725

ΔHf, kcal/mol:

-175.75

Dipole, Da:

12.0

IP(EA), eV:

 -8.75(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3CCCCO3)N=C(C=C2NC4=C(C=C(C=C4)C5=NC(CO5)(C)C)S(=O)(=O)C)NC(=O)[C@H]6C[C@H]6F

DOS

IR

Vibrations