Geometry & MOs

Info

ID:	180218
PubChem CID:	76600662
Reduced:	SN4O5H18C22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	344.083078
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	7.68
IP(EA), eV:	-8.89(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-benzyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-ylidene)acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C=C2NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations