Geometry & MOs

Info

ID:

96651

PubChem CID:

50023156

Reduced:

FO5N6C42H51 (1)

Stoich.:

AB5C6D42E51 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-230.39

Dipole, Da:

10.82

IP(EA), eV:

 -8.95(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NCC6=CC=C(C=C6)F)C)C

DOS

IR

Vibrations