Geometry & MOs

Info

ID:

112476

PubChem CID:

50408817

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

553.272276

ΔHf, kcal/mol:

-228.81

Dipole, Da:

6.41

IP(EA), eV:

 -8.35(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-(3-methylsulfanylanilino)-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations