Geometry & MOs

Info

ID:

120019

PubChem CID:

50711744

Reduced:

ClN6O6C42H51 (1)

Stoich.:

AB6C6D42E51 (1)

Weight, g/mol:

770.355861

ΔHf, kcal/mol:

-235.47

Dipole, Da:

10.63

IP(EA), eV:

 -8.15(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-methoxy-4-[(3-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)Cl)OC

DOS

IR

Vibrations