Geometry & MOs

Info

ID:

112315

PubChem CID:

50401848

Reduced:

N5O5C31H41 (1)

Stoich.:

A5B5C31D41 (1)

Weight, g/mol:

591.378455

ΔHf, kcal/mol:

-194.73

Dipole, Da:

5.56

IP(EA), eV:

 -8.79(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4CCCCC4)C(=O)NC

DOS

IR

Vibrations