Geometry & MOs

Info

ID:

95393

PubChem CID:

50008946

Reduced:

N5O5C29H37 (1)

Stoich.:

A5B5C29D37 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-178.47

Dipole, Da:

8.59

IP(EA), eV:

 -8.62(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-methylanilino)-3-methyl-1-oxobutan-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)N3CCCC3C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations