Geometry & MOs

Info

ID:	228592
PubChem CID:	87565375
Reduced:	FSN4O4C25H29 (1)
Stoich.:	ABC4D4E25F29 (1)
Weight, g/mol:	189.957931
ΔH_f, kcal/mol:	-110.94
Dipole, Da:	4.97
IP(EA), eV:	-9.01(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(trifluoromethyl)-3H-thiadiazole

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=CN(N=N2)CCC(=O)OC)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations