Geometry & MOs

Info

ID:

118125

PubChem CID:

50630156

Reduced:

ClO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

546.203383

ΔHf, kcal/mol:

-189.87

Dipole, Da:

5.72

IP(EA), eV:

 -8.69(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations