Geometry & MOs

Info

ID:	236208
PubChem CID:	92711905
Reduced:	ClSN3O3H14C15 (1)
Stoich.:	ABC3D3E14F15 (1)
Weight, g/mol:	335.073991
ΔH_f, kcal/mol:	-78.56
Dipole, Da:	2.76
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@@H]2NC3=CC=CC=C3S(=O)(=O)N2)Cl

DOS

IR

Vibrations