Geometry & MOs

Info

ID:	122528
PubChem CID:	50810553
Reduced:	N2S2O3H24C25 (1)
Stoich.:	A2B2C3D24E25 (1)
Weight, g/mol:	403.023138
ΔH_f, kcal/mol:	-54.65
Dipole, Da:	6.54
IP(EA), eV:	-8.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=CC=C4)S(=O)(=O)C)C

DOS

IR

Vibrations