Geometry & MOs

Info

ID:

113979

PubChem CID:

50466976

Reduced:

FN5O6C33H38 (1)

Stoich.:

AB5C6D33E38 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-238.82

Dipole, Da:

5.44

IP(EA), eV:

 -8.7(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)OC)OC)C)F

DOS

IR

Vibrations