Geometry & MOs

Info

ID:	16517
PubChem CID:	471980
Reduced:	FS2N3O3H10C14 (1)
Stoich.:	AB2C3D3E10F14 (1)
Weight, g/mol:	351.014762
ΔH_f, kcal/mol:	-73.02
Dipole, Da:	3.67
IP(EA), eV:	-9.6(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3-fluorophenyl)methyl]-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CN2C(=O)N(C3=CSC=C3S2(=O)=O)CC#N

DOS

IR

Vibrations