Geometry & MOs

Info

ID:

100245

PubChem CID:

50059450

Reduced:

ClO4N5C29H30 (1)

Stoich.:

AB4C5D29E30 (1)

Weight, g/mol:

591.224847

ΔHf, kcal/mol:

-124.52

Dipole, Da:

11.79

IP(EA), eV:

 -8.58(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N

DOS

IR

Vibrations