Geometry & MOs

Info

ID:

120159

PubChem CID:

50716109

Reduced:

ClF3O4N5C33H39 (1)

Stoich.:

AB3C4D5E33F39 (1)

Weight, g/mol:

625.283111

ΔHf, kcal/mol:

-301.74

Dipole, Da:

9.76

IP(EA), eV:

 -9.1(-0.73)

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-fluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCCC2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C(=C(C=C5)F)F)F

DOS

IR

Vibrations