Geometry & MOs

Info

ID:

427957

PubChem CID:

135165581

Reduced:

N3O3H19C23 (1)

Stoich.:

A3B3C19D23 (1)

Weight, g/mol:

808.382744

ΔHf, kcal/mol:

7.81

Dipole, Da:

2.34

IP(EA), eV:

 -8.65(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-chloro-3-[3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN2C1=NC(=N2)C3=CC=CC(=C3C)C4=CC5=C(C=C4)OCCO5)C=O

DOS

IR

Vibrations