Geometry & MOs

Info

ID:

219794

PubChem CID:

85164903

Reduced:

ClSO2N4C34H35 (1)

Stoich.:

ABC2D4E34F35 (1)

Weight, g/mol:

598.216925

ΔHf, kcal/mol:

-9.16

Dipole, Da:

4.08

IP(EA), eV:

 -8.76(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methylcarbamothioyl]-N-[1-[methyl(naphthalen-2-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC2=CC=CC=C21)C(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=S)NCC5=CC=CC=C5Cl

DOS

IR

Vibrations