Geometry & MOs

Info

ID:

110970

PubChem CID:

50346409

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-264.63

Dipole, Da:

11.29

IP(EA), eV:

 -8.87(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)F)C)C

DOS

IR

Vibrations