Geometry & MOs

Info

ID:

117170

PubChem CID:

50593854

Reduced:

ClN5O6C29H34 (1)

Stoich.:

AB5C6D29E34 (1)

Weight, g/mol:

684.259374

ΔHf, kcal/mol:

-219.7

Dipole, Da:

12.28

IP(EA), eV:

 -8.94(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-chloro-4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations