Geometry & MOs

Info

ID:

96780

PubChem CID:

50024478

Reduced:

FO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

712.394833

ΔHf, kcal/mol:

-236.85

Dipole, Da:

9.34

IP(EA), eV:

 -8.72(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamido-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations