Geometry & MOs

Info

ID:	235384
PubChem CID:	92310317
Reduced:	NSO2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	342.93363
ΔH_f, kcal/mol:	-114.26
Dipole, Da:	8.17
IP(EA), eV:	-8.92(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1CN(C2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC)C(=O)C

DOS

IR

Vibrations