Geometry & MOs

Info

ID:

433605

PubChem CID:

135173745

Reduced:

ClO2N8C35H39 (1)

Stoich.:

AB2C8D35E39 (1)

Weight, g/mol:

762.34088

ΔHf, kcal/mol:

24.51

Dipole, Da:

5.66

IP(EA), eV:

 -8.51(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CNC(C)CO)C

DOS

IR

Vibrations