Geometry & MOs

Info

ID:

119488

PubChem CID:

50687082

Reduced:

Cl2N6O6C35H38 (1)

Stoich.:

A2B6C6D35E38 (1)

Weight, g/mol:

665.258039

ΔHf, kcal/mol:

-210.34

Dipole, Da:

11.55

IP(EA), eV:

 -8.88(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations