Geometry & MOs

Info

ID:	67901
PubChem CID:	46507387
Reduced:	SN2O4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	480.171893
ΔH_f, kcal/mol:	-103.58
Dipole, Da:	6.17
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3S(=O)(=O)N(C2=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations