Geometry & MOs

Info

ID:	208997
PubChem CID:	80610829
Reduced:	SN3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	304.942868
ΔH_f, kcal/mol:	-1.02
Dipole, Da:	4.15
IP(EA), eV:	-8.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(2-chloro-4-nitrophenoxy)methyl]-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CC(C)CNC1=NC(=NS1)C2CCCCCCC2

DOS

IR

Vibrations