Geometry & MOs

Info

ID:

111935

PubChem CID:

50387297

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-228.23

Dipole, Da:

6.64

IP(EA), eV:

 -8.16(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)NC(=O)C(C)C)C

DOS

IR

Vibrations