Geometry & MOs

Info

ID:	259516
PubChem CID:	103167244
Reduced:	OSN3C7H13 (1)
Stoich.:	ABC3D7E13 (1)
Weight, g/mol:	246.059362
ΔH_f, kcal/mol:	-20.25
Dipole, Da:	2.44
IP(EA), eV:	-9.01(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)NNC(=S)N

DOS

IR

Vibrations