Geometry & MOs

Info

ID:

113661

PubChem CID:

50454110

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-225.24

Dipole, Da:

4.33

IP(EA), eV:

 -8.81(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC4=C(C=C(C=C4)F)F)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations