Geometry & MOs

Info

ID:

99814

PubChem CID:

50055157

Reduced:

F2O5N6C40H40 (1)

Stoich.:

A2B5C6D40E40 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-221.64

Dipole, Da:

7.84

IP(EA), eV:

 -8.68(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-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)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations