Geometry & MOs

Info

ID:

433696

PubChem CID:

135173836

Reduced:

N9C39H41 (1)

Stoich.:

A9B39C41 (1)

Weight, g/mol:

655.26738

ΔHf, kcal/mol:

154.95

Dipole, Da:

6.21

IP(EA), eV:

 -8.18(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[3-[[3-(hydroxymethyl)-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]-5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC6=NC=CC7=NC(=CN=C76)CN8CCCC8)C

DOS

IR

Vibrations