Geometry & MOs

Info

ID:

102702

PubChem CID:

50069087

Reduced:

O5N6C43H54 (1)

Stoich.:

A5B6C43D54 (1)

Weight, g/mol:

657.256289

ΔHf, kcal/mol:

-202.48

Dipole, Da:

10.54

IP(EA), eV:

 -8.42(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)NC(=O)C6CCCCC6

DOS

IR

Vibrations