Geometry & MOs

Info

ID:

117177

PubChem CID:

50593973

Reduced:

ClFN6O7C35H38 (1)

Stoich.:

ABC6D7E35F38 (1)

Weight, g/mol:

744.320224

ΔHf, kcal/mol:

-275.65

Dipole, Da:

8.83

IP(EA), eV:

 -8.96(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations