Geometry & MOs

Info

ID:

93581

PubChem CID:

49995585

Reduced:

ClN6O6C39H51 (1)

Stoich.:

AB6C6D39E51 (1)

Weight, g/mol:

746.392247

ΔHf, kcal/mol:

-256.93

Dipole, Da:

5.89

IP(EA), eV:

 -9.13(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCOCC6

DOS

IR

Vibrations