Geometry & MOs

Info

ID:

109151

PubChem CID:

50274538

Reduced:

O5N6C40H50 (1)

Stoich.:

A5B6C40D50 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-193.17

Dipole, Da:

6.16

IP(EA), eV:

 -8.77(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC(=C2NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C)C

DOS

IR

Vibrations