Geometry & MOs

Info

ID:	366059
PubChem CID:	127319382
Reduced:	O2S3N4C14H20 (1)
Stoich.:	A2B3C4D14E20 (1)
Weight, g/mol:	359.043205
ΔH_f, kcal/mol:	-25.28
Dipole, Da:	10.32
IP(EA), eV:	-9.07(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCSC2=NN=C(N2C)CC3CCS(=O)(=O)C3

DOS

IR

Vibrations