Geometry & MOs

Info

ID:

432518

PubChem CID:

135172651

Reduced:

Cl2O5N8C37H42 (1)

Stoich.:

A2B5C8D37E42 (1)

Weight, g/mol:

760.301907

ΔHf, kcal/mol:

-143.85

Dipole, Da:

3.56

IP(EA), eV:

 -8.91(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(CN(CC2)CC3CCC(CC3)C(=O)O)N=C1C(=O)NC4=CC=CC(=C4Cl)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)CO)Cl

DOS

IR

Vibrations