Geometry & MOs

Info

ID:

120564

PubChem CID:

50734358

Reduced:

O5N6C38H46 (1)

Stoich.:

A5B6C38D46 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-171.86

Dipole, Da:

4.04

IP(EA), eV:

 -8.74(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[2-[2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations