Geometry & MOs

Info

ID:

107817

PubChem CID:

50220037

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-280.97

Dipole, Da:

10.08

IP(EA), eV:

 -8.7(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations