Geometry & MOs

Info

ID:

94726

PubChem CID:

50003472

Reduced:

N3O3C20H26 (2)

Stoich.:

A3B3C20D26 (2)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-240.71

Dipole, Da:

4.76

IP(EA), eV:

 -8.05(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)C)OC

DOS

IR

Vibrations