Geometry & MOs

Info

ID:	360152
PubChem CID:	127300732
Reduced:	SO3N6C16H18 (1)
Stoich.:	AB3C6D16E18 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	13.68
Dipole, Da:	9.52
IP(EA), eV:	-9.01(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(5,5-dioxo-1H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)methanone

Drug info:

PubChemData

Smile

C1CC1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N5C(=NS4(=O)=O)N=CN5

DOS

IR

Vibrations