Geometry & MOs

Info

ID:

104511

PubChem CID:

50104453

Reduced:

ClO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

585.271797

ΔHf, kcal/mol:

-182.2

Dipole, Da:

5.76

IP(EA), eV:

 -8.75(-0.45)

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-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N(C)C)C)Cl

DOS

IR

Vibrations