Geometry & MOs

Info

ID:

108866

PubChem CID:

50261877

Reduced:

FO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

678.352969

ΔHf, kcal/mol:

-168.73

Dipole, Da:

13.0

IP(EA), eV:

 -8.71(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations