Geometry & MOs

Info

ID:

120188

PubChem CID:

50717462

Reduced:

ClN6O6C41H45 (1)

Stoich.:

AB6C6D41E45 (1)

Weight, g/mol:

752.308911

ΔHf, kcal/mol:

-186.91

Dipole, Da:

4.59

IP(EA), eV:

 -8.52(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(2-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations