Geometry & MOs

Info

ID:

117187

PubChem CID:

50594078

Reduced:

Cl3O3N4C27H31 (1)

Stoich.:

A3B3C4D27E31 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-132.21

Dipole, Da:

10.09

IP(EA), eV:

 -8.72(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations