Geometry & MOs

Info

ID:

106219

PubChem CID:

50153285

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-285.34

Dipole, Da:

13.83

IP(EA), eV:

 -8.81(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-6-(phenylcarbamoyl)anilino]-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC=C3C(=O)NC4=C(C=C(C=C4)F)F)C)C

DOS

IR

Vibrations