Geometry & MOs

Info

ID:	16951
PubChem CID:	480969
Reduced:	SN2O6H20C23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	452.104208
ΔH_f, kcal/mol:	-151.54
Dipole, Da:	2.52
IP(EA), eV:	-9.47(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-[(3-benzyl-2,2,4-trioxo-2lambda6,1,3-benzothiadiazin-1-yl)methoxy]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N(S2(=O)=O)COCC(=O)OC4=CC=CC=C4

DOS

IR

Vibrations