Geometry & MOs

Info

ID:	369481
PubChem CID:	127334155
Reduced:	S2N3O4C14H21 (1)
Stoich.:	A2B3C4D14E21 (1)
Weight, g/mol:	296.130697
ΔH_f, kcal/mol:	-139.02
Dipole, Da:	2.32
IP(EA), eV:	-9.74(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(oxan-4-ylmethyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CSC=N2)S(=O)(=O)C3CCOCC3

DOS

IR

Vibrations