Geometry & MOs

Info

ID:

118787

PubChem CID:

50658904

Reduced:

ClO5N6C29H35 (1)

Stoich.:

AB5C6D29E35 (1)

Weight, g/mol:

722.275024

ΔHf, kcal/mol:

-194.68

Dipole, Da:

8.18

IP(EA), eV:

 -8.94(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamido-4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations