Geometry & MOs

Info

ID:

93804

PubChem CID:

49996744

Reduced:

Cl2O4N5C34H45 (1)

Stoich.:

A2B4C5D34E45 (1)

Weight, g/mol:

619.37337

ΔHf, kcal/mol:

-202.39

Dipole, Da:

8.68

IP(EA), eV:

 -8.8(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations