Geometry & MOs

Info

ID:

110717

PubChem CID:

50337361

Reduced:

O5N6C31H42 (1)

Stoich.:

A5B6C31D42 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-201.17

Dipole, Da:

4.22

IP(EA), eV:

 -8.97(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)N(C)C)C

DOS

IR

Vibrations