Geometry & MOs

Info

ID:

95422

PubChem CID:

50009244

Reduced:

FN6O6C34H39 (1)

Stoich.:

AB6C6D34E39 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-243.22

Dipole, Da:

12.88

IP(EA), eV:

 -8.98(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamidoanilino)-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)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)OC

DOS

IR

Vibrations