Geometry & MOs

Info

ID:	136674
PubChem CID:	52083496
Reduced:	FOSCl2N5H14C17 (1)
Stoich.:	ABCD2E5F14G17 (1)
Weight, g/mol:	383.085224
ΔH_f, kcal/mol:	45.88
Dipole, Da:	9.76
IP(EA), eV:	-9.06(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1([C@H]([C@H]1C(=O)NC2=NN3C(=NN=C3S2)C4=CC=C(C=C4)F)C=C(Cl)Cl)C

DOS

IR

Vibrations