Geometry & MOs

Info

ID:	17016
PubChem CID:	482194
Reduced:	BrNS2O5H16C17 (1)
Stoich.:	ABC2D5E16F17 (1)
Weight, g/mol:	456.96533
ΔH_f, kcal/mol:	-162.23
Dipole, Da:	8.71
IP(EA), eV:	-9.34(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[4-acetyloxy-1-(4-bromophenyl)butylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)OCCCC(=C1C(=O)N(C(=S)S1)CC(=O)O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations