Geometry & MOs

Info

ID:

93600

PubChem CID:

49995630

Reduced:

ClO5N6C41H55 (1)

Stoich.:

AB5C6D41E55 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-239.75

Dipole, Da:

9.55

IP(EA), eV:

 -8.75(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6C)C

DOS

IR

Vibrations