Geometry & MOs

Info

ID:	337228
PubChem CID:	127256793
Reduced:	N2O4S4C19H20 (1)
Stoich.:	A2B4C4D19E20 (1)
Weight, g/mol:	251.061614
ΔH_f, kcal/mol:	-88.65
Dipole, Da:	6.22
IP(EA), eV:	-8.32(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxoethyl 3-(2H-1,3-benzothiazol-3-yl)propanoate

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C/C=C/C=C/2\N(C3=CC=CC=C3S2)CCCS(=O)(=O)O)/SC1=S

DOS

IR

Vibrations