Geometry & MOs

Info

ID:

433634

PubChem CID:

135173774

Reduced:

SN3O5H25C27 (1)

Stoich.:

AB3C5D25E27 (1)

Weight, g/mol:

600.332508

ΔHf, kcal/mol:

-54.85

Dipole, Da:

8.59

IP(EA), eV:

 -8.03(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,5-dimethyl-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-6,7-dihydro-4H-imidazo[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)NC4=C(C(=O)C4=O)OC

DOS

IR

Vibrations