Geometry & MOs

Info

ID:	68046
PubChem CID:	46507656
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	387.088892
ΔH_f, kcal/mol:	0.8
Dipole, Da:	4.73
IP(EA), eV:	-8.91(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N=C2C(=CC3=C(O2)C(=NC=C3CO)C)C(=S)N

DOS

IR

Vibrations