Geometry & MOs

Info

ID:

427899

PubChem CID:

135165178

Reduced:

ClO4N8C39H45 (1)

Stoich.:

AB4C8D39E45 (1)

Weight, g/mol:

726.377265

ΔHf, kcal/mol:

-85.14

Dipole, Da:

5.44

IP(EA), eV:

 -8.67(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[[5-(4,4-dimethylcyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]-5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC3=C(N2C)CCNC3)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)CC78CCC(C7)(CC8)C(=O)OC)Cl

DOS

IR

Vibrations