Geometry & MOs

Info

ID:	360157
PubChem CID:	127300737
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	377.115775
ΔH_f, kcal/mol:	-35.98
Dipole, Da:	6.88
IP(EA), eV:	-9.58(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dioxo-N-[1-(oxolan-2-yl)propan-2-yl]-1H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-7-carboxamide

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)C(=O)C2=CC3=C(C=C2)N4C(=NS3(=O)=O)N=CN4)C

DOS

IR

Vibrations