Geometry & MOs

Info

ID:	209897
PubChem CID:	80737150
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	277.011032
ΔH_f, kcal/mol:	-30.89
Dipole, Da:	4.54
IP(EA), eV:	-8.42(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1)N)SCCN(C)C

DOS

IR

Vibrations