Geometry & MOs

Info

ID:

116763

PubChem CID:

50574905

Reduced:

ClN6O7C39H51 (1)

Stoich.:

AB6C7D39E51 (1)

Weight, g/mol:

684.303826

ΔHf, kcal/mol:

-271.44

Dipole, Da:

3.38

IP(EA), eV:

 -9.13(-0.57)

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-(methylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCOCC6

DOS

IR

Vibrations