Geometry & MOs

Info

ID:	195371
PubChem CID:	78677965
Reduced:	ClN2O2S2C19H19 (1)
Stoich.:	AB2C2D2E19F19 (1)
Weight, g/mol:	411.071134
ΔH_f, kcal/mol:	-56.41
Dipole, Da:	2.59
IP(EA), eV:	-8.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NCCSCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations