Geometry & MOs

Info

ID:

119684

PubChem CID:

50696373

Reduced:

ClN3O3C17H22 (2)

Stoich.:

AB3C3D17E22 (2)

Weight, g/mol:

688.254289

ΔHf, kcal/mol:

-267.92

Dipole, Da:

4.62

IP(EA), eV:

 -8.73(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations