Geometry & MOs

Info

ID:	16522
PubChem CID:	472040
Reduced:	ClS2N3O3H10C14 (1)
Stoich.:	AB2C3D3E10F14 (1)
Weight, g/mol:	366.985211
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	3.41
IP(EA), eV:	-9.52(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzyl-6-chloro-1,1,3-trioxothieno[3,2-e][1,2,4]thiadiazin-4-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)N(C3=C(S2(=O)=O)SC(=C3)Cl)CC#N

DOS

IR

Vibrations