Geometry & MOs

Info

ID:

115273

PubChem CID:

50516219

Reduced:

Cl2O5N6C30H38 (1)

Stoich.:

A2B5C6D30E38 (1)

Weight, g/mol:

680.228074

ΔHf, kcal/mol:

-209.68

Dipole, Da:

6.81

IP(EA), eV:

 -9.0(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-benzamido-2-chloroanilino)-1-oxopropan-2-yl]-1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations