Geometry & MOs

Info

ID:

99794

PubChem CID:

50055004

Reduced:

FN5O6C34H38 (1)

Stoich.:

AB5C6D34E38 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-240.16

Dipole, Da:

9.38

IP(EA), eV:

 -8.58(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations