Geometry & MOs

Info

ID:

113546

PubChem CID:

50449844

Reduced:

FO5N6C38H39 (1)

Stoich.:

AB5C6D38E39 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-183.12

Dipole, Da:

8.45

IP(EA), eV:

 -8.72(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations