Geometry & MOs

Info

ID:	322599
PubChem CID:	126670618
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-32.22
Dipole, Da:	3.85
IP(EA), eV:	-9.82(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dioxo-2,10-di(propan-2-yl)pyrrolo[1,2-b][1,2,4]benzothiadiazin-1-amine

Drug info:

PubChemData

Smile

C1C2CC(CC1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4

DOS

IR

Vibrations