Geometry & MOs

Info

ID:

96359

PubChem CID:

50019962

Reduced:

O5N6C38H54 (1)

Stoich.:

A5B6C38D54 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-228.28

Dipole, Da:

6.6

IP(EA), eV:

 -9.14(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-benzamido-4-methylanilino)-2-oxoethyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4

DOS

IR

Vibrations