Geometry & MOs

Info

ID:

92469

PubChem CID:

49986666

Reduced:

Cl2O4N5C33H43 (1)

Stoich.:

A2B4C5D33E43 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-193.15

Dipole, Da:

7.89

IP(EA), eV:

 -8.81(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations