Geometry & MOs

Info

ID:

116464

PubChem CID:

50561894

Reduced:

Cl2O5N6C32H42 (1)

Stoich.:

A2B5C6D32E42 (1)

Weight, g/mol:

674.275024

ΔHf, kcal/mol:

-235.65

Dipole, Da:

5.13

IP(EA), eV:

 -8.97(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations