Geometry & MOs

Info

ID:

112849

PubChem CID:

50422454

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-192.63

Dipole, Da:

10.5

IP(EA), eV:

 -8.7(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetamido-4-methylanilino)-3-oxopropyl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC)C(=O)NC

DOS

IR

Vibrations