Geometry & MOs

Info

ID:	28809
PubChem CID:	829781
Reduced:	OSN4H14C16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	268.03402
ΔH_f, kcal/mol:	78.39
Dipole, Da:	1.95
IP(EA), eV:	-9.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CN=CC=C3

DOS

IR

Vibrations