Geometry & MOs

Info

ID:

117615

PubChem CID:

50608717

Reduced:

ClF3O4N5C25H27 (1)

Stoich.:

AB3C4D5E25F27 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-309.58

Dipole, Da:

6.35

IP(EA), eV:

 -9.17(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-6-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC(=O)NC2=CC=CC(=C2)C(F)(F)F)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations