Geometry & MOs

Info

ID:	340457
PubChem CID:	127262468
Reduced:	SN2O3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	227.145619
ΔH_f, kcal/mol:	-27.54
Dipole, Da:	6.04
IP(EA), eV:	-8.99(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nonan-5-yl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC(=O)/C(=C\2/NNC(=S)O2)/C=C1O

DOS

IR

Vibrations