Geometry & MOs

Info

ID:

118761

PubChem CID:

50658041

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

722.275024

ΔHf, kcal/mol:

-220.86

Dipole, Da:

6.32

IP(EA), eV:

 -9.25(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC(C4)C)Cl)C

DOS

IR

Vibrations