Geometry & MOs

Info

ID:	67928
PubChem CID:	46507447
Reduced:	SN4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	434.166414
ΔH_f, kcal/mol:	97.18
Dipole, Da:	4.91
IP(EA), eV:	-8.72(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N4C2=NN=C4C(C)C

DOS

IR

Vibrations