Geometry & MOs

Info

ID:	55688
PubChem CID:	17395839
Reduced:	O2S2N3C9H11 (1)
Stoich.:	A2B2C3D9E11 (1)
Weight, g/mol:	280.070405
ΔH_f, kcal/mol:	-50.79
Dipole, Da:	4.41
IP(EA), eV:	-9.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-tert-butylsulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CN2CSCC2=O

DOS

IR

Vibrations