Geometry & MOs

Info

ID:

117755

PubChem CID:

50614296

Reduced:

Cl2O5N6C39H48 (1)

Stoich.:

A2B5C6D39E48 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-203.78

Dipole, Da:

10.06

IP(EA), eV:

 -8.74(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CC(=CC=C4)Cl)Cl

DOS

IR

Vibrations