Geometry & MOs

Info

ID:

95081

PubChem CID:

50006171

Reduced:

N3O3C20H29 (2)

Stoich.:

A3B3C20D29 (2)

Weight, g/mol:

603.34207

ΔHf, kcal/mol:

-286.45

Dipole, Da:

7.42

IP(EA), eV:

 -8.21(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)OC

DOS

IR

Vibrations