Geometry & MOs

Info

ID:

108845

PubChem CID:

50261351

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-272.18

Dipole, Da:

9.79

IP(EA), eV:

 -8.99(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(butan-2-ylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=CC=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations