Geometry & MOs

Info

ID:

432443

PubChem CID:

135172576

Reduced:

Cl2O4N8C35H40 (1)

Stoich.:

A2B4C8D35E40 (1)

Weight, g/mol:

583.211695

ΔHf, kcal/mol:

-93.27

Dipole, Da:

9.51

IP(EA), eV:

 -8.78(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)CCCCCC(=O)O)Cl

DOS

IR

Vibrations