Geometry & MOs

Info

ID:	55686
PubChem CID:	17395837
Reduced:	O2S2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	266.054755
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	3.99
IP(EA), eV:	-8.98(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CN3CSCC3=O)C

DOS

IR

Vibrations