Geometry & MOs

Info

ID:

112696

PubChem CID:

50416413

Reduced:

FN2O2C13H13 (3)

Stoich.:

AB2C2D13E13 (3)

Weight, g/mol:

634.271525

ΔHf, kcal/mol:

-317.46

Dipole, Da:

7.27

IP(EA), eV:

 -8.78(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-carbamoyl-6-methylanilino)-3-oxopropyl]-1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4F)OC)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations