Geometry & MOs

Info

ID:	41346
PubChem CID:	8145698
Reduced:	BrN2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	365.114416
ΔH_f, kcal/mol:	-40.37
Dipole, Da:	4.98
IP(EA), eV:	-9.32(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

C/C=C/C(=O)OCC1=NN=C(O1)C2=CC=CC=C2Br

DOS

IR

Vibrations