Geometry & MOs

Info

ID:	207613
PubChem CID:	80427083
Reduced:	ON2S3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	230.054755
ΔH_f, kcal/mol:	23.7
Dipole, Da:	6.3
IP(EA), eV:	-8.93(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentan-2-one

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)SCC(=O)C2=CC=C(S2)C

DOS

IR

Vibrations