Geometry & MOs

Info

ID:

119796

PubChem CID:

50701936

Reduced:

Cl2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-154.79

Dipole, Da:

8.93

IP(EA), eV:

 -8.84(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[2-(propan-2-ylcarbamoyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations