Geometry & MOs

Info

ID:

433920

PubChem CID:

135174067

Reduced:

ClO2N8C36H37 (1)

Stoich.:

AB2C8D36E37 (1)

Weight, g/mol:

746.345965

ΔHf, kcal/mol:

34.84

Dipole, Da:

6.58

IP(EA), eV:

 -8.14(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[[2-chloro-3-[2-methyl-3-[[3-[(3-methylpyrrolidin-1-yl)methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCN(C1)CC2=CN=C3C(=C2)C=CN=C3NC4=CC=CC(=C4C)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C=O)Cl

DOS

IR

Vibrations