Geometry & MOs

Info

ID:

92520

PubChem CID:

49987574

Reduced:

Cl2O4N5C31H39 (1)

Stoich.:

A2B4C5D31E39 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-182.83

Dipole, Da:

7.56

IP(EA), eV:

 -8.87(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]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(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations