Geometry & MOs

Info

ID:

106394

PubChem CID:

50161793

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-232.17

Dipole, Da:

7.67

IP(EA), eV:

 -9.06(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations