Geometry & MOs

Info

ID:

112021

PubChem CID:

50392386

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

688.394833

ΔHf, kcal/mol:

-219.42

Dipole, Da:

6.53

IP(EA), eV:

 -8.95(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-2-oxoethyl]-1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F)C(=O)NC5CCCCC5

DOS

IR

Vibrations