Geometry & MOs

Info

ID:

120356

PubChem CID:

50724024

Reduced:

ClN6O6C40H51 (1)

Stoich.:

AB6C6D40E51 (1)

Weight, g/mol:

575.229932

ΔHf, kcal/mol:

-234.48

Dipole, Da:

2.95

IP(EA), eV:

 -8.08(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-methylphenyl)-1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4OC)C

DOS

IR

Vibrations