Geometry & MOs

Info

ID:

95499

PubChem CID:

50009864

Reduced:

ClN6O6C33H41 (1)

Stoich.:

AB6C6D33E41 (1)

Weight, g/mol:

664.313996

ΔHf, kcal/mol:

-227.73

Dipole, Da:

1.61

IP(EA), eV:

 -9.25(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations