Geometry & MOs

Info

ID:

113647

PubChem CID:

50453414

Reduced:

F2O4N5C35H39 (1)

Stoich.:

A2B4C5D35E39 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-216.58

Dipole, Da:

6.73

IP(EA), eV:

 -9.03(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCCC4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations