Geometry & MOs

Info

ID:	359479
PubChem CID:	127298753
Reduced:	SO3N4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	394.113333
ΔH_f, kcal/mol:	-45.05
Dipole, Da:	3.75
IP(EA), eV:	-8.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NO2)CN3C(=O)C4(CCSCC4)NC3=O

DOS

IR

Vibrations