Geometry & MOs

Info

ID:

433615

PubChem CID:

135173755

Reduced:

SO2N3C29H29 (1)

Stoich.:

AB2C3D29E29 (1)

Weight, g/mol:

626.207613

ΔHf, kcal/mol:

18.36

Dipole, Da:

7.5

IP(EA), eV:

 -8.12(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)SNC3=CC=CC(=C3)NCC4=CC=CC=C4

DOS

IR

Vibrations