Geometry & MOs

Info

ID:

116187

PubChem CID:

50550174

Reduced:

Cl2O5N6C33H42 (1)

Stoich.:

A2B5C6D33E42 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-228.66

Dipole, Da:

10.31

IP(EA), eV:

 -8.84(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations