Geometry & MOs

Info

ID:	141522
PubChem CID:	52888366
Reduced:	FNSO2H14C17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	326.021741
ΔH_f, kcal/mol:	-47.91
Dipole, Da:	2.7
IP(EA), eV:	-8.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)SCCCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations