Geometry & MOs

Info

ID:	67639
PubChem CID:	46506879
Reduced:	SCl2N3O3H15C21 (1)
Stoich.:	AB2C3D3E15F21 (1)
Weight, g/mol:	443.130363
ΔH_f, kcal/mol:	-27.23
Dipole, Da:	6.48
IP(EA), eV:	-8.78(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyl-1lambda6,2,3-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(S(=O)(=O)C3=C2C=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations