Geometry & MOs

Info

ID:	14027
PubChem CID:	401639
Reduced:	SN2O4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	408.114378
ΔH_f, kcal/mol:	-80.84
Dipole, Da:	4.38
IP(EA), eV:	-9.25(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2,2-dioxo-3-(phenylmethoxymethyl)-2lambda6,1,3-benzothiadiazin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N(S2(=O)=O)COCC4=CC=CC=C4

DOS

IR

Vibrations