Geometry & MOs

Info

ID:	67893
PubChem CID:	46507379
Reduced:	ClN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	434.166414
ΔH_f, kcal/mol:	-40.22
Dipole, Da:	4.84
IP(EA), eV:	-8.63(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC2=C(C=C(C=C2)C)C(=C1)NC3=C(C=C(C=C3)C)Cl

DOS

IR

Vibrations