Geometry & MOs

Info

ID:

95370

PubChem CID:

50008834

Reduced:

ClO4N5C27H34 (1)

Stoich.:

AB4C5D27E34 (1)

Weight, g/mol:

543.224847

ΔHf, kcal/mol:

-164.18

Dipole, Da:

9.31

IP(EA), eV:

 -8.88(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)Cl)C

DOS

IR

Vibrations