Geometry & MOs

Info

ID:

110957

PubChem CID:

50345805

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

686.415569

ΔHf, kcal/mol:

-187.87

Dipole, Da:

8.41

IP(EA), eV:

 -8.74(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=C(C=C5)C)C

DOS

IR

Vibrations