Geometry & MOs

Info

ID:

117581

PubChem CID:

50607862

Reduced:

BrClO5N6C25H28 (1)

Stoich.:

ABC5D6E25F28 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-183.68

Dipole, Da:

10.76

IP(EA), eV:

 -9.16(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[2-(phenylcarbamoyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)Br

DOS

IR

Vibrations