Geometry & MOs

Info

ID:	284980
PubChem CID:	104087450
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	205.034354
ΔH_f, kcal/mol:	-41.59
Dipole, Da:	2.0
IP(EA), eV:	-8.46(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CCCNC1=C(C=CC=N1)CSC(C)CO

DOS

IR

Vibrations