Geometry & MOs

Info

ID:	366058
PubChem CID:	127319381
Reduced:	SN2O5C17H24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	372.074839
ΔH_f, kcal/mol:	-195.97
Dipole, Da:	8.34
IP(EA), eV:	-9.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3CCOCC3)C(=O)N

DOS

IR

Vibrations