Geometry & MOs

Info

ID:	207604
PubChem CID:	80425578
Reduced:	BrS2N4H5C7 (1)
Stoich.:	AB2C4D5E7 (1)
Weight, g/mol:	250.024598
ΔH_f, kcal/mol:	89.29
Dipole, Da:	5.5
IP(EA), eV:	-8.67(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-fluoroacetate

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Br)SC2=NC=NS2)N

DOS

IR

Vibrations