Geometry & MOs

Info

ID:	337387
PubChem CID:	127257072
Reduced:	NSO2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	191.007471
ΔH_f, kcal/mol:	-46.33
Dipole, Da:	1.45
IP(EA), eV:	-8.93(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfanylideneethyl 1,3-thiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=CC=C2COC(=O)N3CCSC3

DOS

IR

Vibrations