Geometry & MOs

Info

ID:

116048

PubChem CID:

50544853

Reduced:

Cl2O5N6C37H48 (1)

Stoich.:

A2B5C6D37E48 (1)

Weight, g/mol:

659.264125

ΔHf, kcal/mol:

-234.18

Dipole, Da:

9.22

IP(EA), eV:

 -8.92(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC(C5)C

DOS

IR

Vibrations