Geometry & MOs

Info

ID:

96922

PubChem CID:

50025904

Reduced:

F2O5N6C40H50 (1)

Stoich.:

A2B5C6D40E50 (1)

Weight, g/mol:

728.406147

ΔHf, kcal/mol:

-288.68

Dipole, Da:

5.61

IP(EA), eV:

 -8.56(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations