Geometry & MOs

Info

ID:	246728
PubChem CID:	103064743
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	258.060903
ΔH_f, kcal/mol:	-42.3
Dipole, Da:	3.95
IP(EA), eV:	-8.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(ethylamino)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2CCSC2)N

DOS

IR

Vibrations