Geometry & MOs

Info

ID:

98721

PubChem CID:

50045937

Reduced:

F2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-219.92

Dipole, Da:

5.59

IP(EA), eV:

 -8.69(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations