Geometry & MOs

Info

ID:

92945

PubChem CID:

49990705

Reduced:

O5N6C40H54 (1)

Stoich.:

A5B6C40D54 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-218.74

Dipole, Da:

7.64

IP(EA), eV:

 -8.78(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-(methylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)N6CCCCC6

DOS

IR

Vibrations