Geometry & MOs

Info

ID:

116758

PubChem CID:

50574755

Reduced:

ClN6O7C36H49 (1)

Stoich.:

AB6C7D36E49 (1)

Weight, g/mol:

752.366426

ΔHf, kcal/mol:

-295.83

Dipole, Da:

6.7

IP(EA), eV:

 -8.71(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations