Geometry & MOs

Info

ID:

116505

PubChem CID:

50563524

Reduced:

ClO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

722.355861

ΔHf, kcal/mol:

-164.58

Dipole, Da:

16.68

IP(EA), eV:

 -8.75(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-(cyclohexanecarbonylamino)-3-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations