Geometry & MOs

Info

ID:

91835

PubChem CID:

49979446

Reduced:

ClN6O6C39H45 (1)

Stoich.:

AB6C6D39E45 (1)

Weight, g/mol:

696.340211

ΔHf, kcal/mol:

-206.74

Dipole, Da:

11.15

IP(EA), eV:

 -8.65(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations