Geometry & MOs

Info

ID:	359600
PubChem CID:	127298874
Reduced:	O3N6C20H22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	363.100125
ΔH_f, kcal/mol:	-11.76
Dipole, Da:	4.63
IP(EA), eV:	-8.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylmorpholin-4-yl)-(5,5-dioxo-1H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NCC4=CN5CCCCC5=N4

DOS

IR

Vibrations