Geometry & MOs

Info

ID:	236857
PubChem CID:	92715083
Reduced:	SO3N4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	442.03506
ΔH_f, kcal/mol:	-48.81
Dipole, Da:	4.6
IP(EA), eV:	-8.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-bromophenyl)-2-[(3-methylphenyl)methyl]-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[C@H]4NC5=CC=CC=C5S(=O)(=O)N4)C

DOS

IR

Vibrations