Geometry & MOs

Info

ID:	172430
PubChem CID:	75509242
Reduced:	FON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	280.070405
ΔH_f, kcal/mol:	-17.15
Dipole, Da:	2.72
IP(EA), eV:	-9.21(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methoxypropan-2-ylsulfanylmethyl)-5-phenyl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)CN2CCC(=CC2)C3=CC=CC=C3F

DOS

IR

Vibrations