Geometry & MOs

Info

ID:	16422
PubChem CID:	468274
Reduced:	N2S2O5C13H14 (1)
Stoich.:	A2B2C5D13E14 (1)
Weight, g/mol:	342.034414
ΔH_f, kcal/mol:	-147.66
Dipole, Da:	6.62
IP(EA), eV:	-9.19(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10,10-dioxo-4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl)methyl methanesulfonate

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1C2=CC=CN2S(=O)(=O)C3=CC=CC=C3N1

DOS

IR

Vibrations