Geometry & MOs

Info

ID:

111285

PubChem CID:

50361253

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-225.46

Dipole, Da:

2.83

IP(EA), eV:

 -8.84(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[2-methyl-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C

DOS

IR

Vibrations