Geometry & MOs

Info

ID:	67908
PubChem CID:	46507401
Reduced:	SO2N5H17C22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	452.156992
ΔH_f, kcal/mol:	81.17
Dipole, Da:	5.97
IP(EA), eV:	-8.96(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)CSC3=NC(=O)C4=C(N3)C(=CN4)C5=CC=CC=C5

DOS

IR

Vibrations