Geometry & MOs

Info

ID:	230342
PubChem CID:	87570687
Reduced:	FNO6C20H28 (1)
Stoich.:	ABC6D20E28 (1)
Weight, g/mol:	223.957033
ΔH_f, kcal/mol:	-261.94
Dipole, Da:	10.67
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(prop-2-enyldisulfanyl)-3H-thiadiazole-5-thiol

Drug info:

PubChemData

Smile

CC1C(COC(O1)(C)C(=O)O)CCCCO/N=C(\C)/C2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations