Geometry & MOs

Info

ID:	55685
PubChem CID:	17395836
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	321.060569
ΔH_f, kcal/mol:	-96.43
Dipole, Da:	0.88
IP(EA), eV:	-9.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations