Geometry & MOs

Info

ID:	366263
PubChem CID:	127319720
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	339.136511
ΔH_f, kcal/mol:	-110.54
Dipole, Da:	3.98
IP(EA), eV:	-9.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C=CC(=N2)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations