Geometry & MOs

Info

ID:

119580

PubChem CID:

50691691

Reduced:

ClN5O6C34H38 (1)

Stoich.:

AB5C6D34E38 (1)

Weight, g/mol:

742.360946

ΔHf, kcal/mol:

-191.95

Dipole, Da:

6.73

IP(EA), eV:

 -8.6(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[3-methyl-4-[(2-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCOCC2)Cl)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations