Geometry & MOs

Info

ID:	311430
PubChem CID:	126592710
Reduced:	FSO3N4C13H23 (1)
Stoich.:	ABC3D4E13F23 (1)
Weight, g/mol:	558.160677
ΔH_f, kcal/mol:	-131.95
Dipole, Da:	4.33
IP(EA), eV:	-8.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-C-methyl-N-[[3-methyl-3-(pyridin-2-yldisulfanyl)butanoyl]amino]carbonimidoyl]phenoxy]butanoate

Drug info:

PubChemData

Smile

CC(C)O[C@@H]1C[C@H](CN(C1)C(=N/C=C(\C)/F)N=C)S(=O)(=O)N

DOS

IR

Vibrations