Geometry & MOs

Info

ID:	360159
PubChem CID:	127300739
Reduced:	SO3N5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	363.100125
ΔH_f, kcal/mol:	-32.67
Dipole, Da:	9.56
IP(EA), eV:	-9.6(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations