Geometry & MOs

Info

ID:

95185

PubChem CID:

50006867

Reduced:

FN6O6C38H47 (1)

Stoich.:

AB6C6D38E47 (1)

Weight, g/mol:

622.347883

ΔHf, kcal/mol:

-266.65

Dipole, Da:

8.39

IP(EA), eV:

 -8.69(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetamido-4-methoxyanilino)-3-oxopropyl]-1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations