Geometry & MOs

Info

ID:

120444

PubChem CID:

50727660

Reduced:

ClO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

639.12479

ΔHf, kcal/mol:

-152.07

Dipole, Da:

1.58

IP(EA), eV:

 -8.74(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations