Geometry & MOs

Info

ID:	360146
PubChem CID:	127300726
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	377.115775
ΔH_f, kcal/mol:	-76.43
Dipole, Da:	9.99
IP(EA), eV:	-8.22(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(oxan-2-ylmethyl)-5,5-dioxo-1H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-7-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NC3=CC4=C(C=C3)N=C(N4)N5CCOCC5

DOS

IR

Vibrations