Geometry & MOs

Info

ID:

119683

PubChem CID:

50696372

Reduced:

Cl2N6O6C35H46 (1)

Stoich.:

A2B6C6D35E46 (1)

Weight, g/mol:

702.269939

ΔHf, kcal/mol:

-266.55

Dipole, Da:

8.61

IP(EA), eV:

 -8.93(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-chloro-3-(propanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations