Geometry & MOs

Info

ID:

118905

PubChem CID:

50663393

Reduced:

ClN6O6C40H53 (1)

Stoich.:

AB6C6D40E53 (1)

Weight, g/mol:

708.340211

ΔHf, kcal/mol:

-263.58

Dipole, Da:

13.59

IP(EA), eV:

 -8.84(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methoxy-5-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)Cl

DOS

IR

Vibrations