Geometry & MOs

Info

ID:

119114

PubChem CID:

50670247

Reduced:

ClO5N6C39H45 (1)

Stoich.:

AB5C6D39E45 (1)

Weight, g/mol:

730.304574

ΔHf, kcal/mol:

-177.59

Dipole, Da:

8.5

IP(EA), eV:

 -8.15(-0.71)

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-[4-[(4-fluorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations