Geometry & MOs

Info

ID:

105906

PubChem CID:

50142021

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-209.06

Dipole, Da:

9.06

IP(EA), eV:

 -8.76(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)N4CCCC(C4)C)C

DOS

IR

Vibrations