Geometry & MOs

Info

ID:

433932

PubChem CID:

135174079

Reduced:

SO3N7C35H35 (1)

Stoich.:

AB3C7D35E35 (1)

Weight, g/mol:

750.377265

ΔHf, kcal/mol:

24.43

Dipole, Da:

6.03

IP(EA), eV:

 -8.34(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(S2)CN(C3)C(=O)CNC)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CC(C7)C(=O)O)C

DOS

IR

Vibrations