Geometry & MOs

Info

ID:	208948
PubChem CID:	80606920
Reduced:	SN2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	300.992405
ΔH_f, kcal/mol:	68.25
Dipole, Da:	3.78
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)CN(CC)CC2=CC=CS2

DOS

IR

Vibrations