Geometry & MOs

Info

ID:

113317

PubChem CID:

50439693

Reduced:

F3O5N6C42H43 (1)

Stoich.:

A3B5C6D42E43 (1)

Weight, g/mol:

634.271525

ΔHf, kcal/mol:

-286.57

Dipole, Da:

7.41

IP(EA), eV:

 -8.89(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations