Geometry & MOs

Info

ID:	122312
PubChem CID:	50802028
Reduced:	SO3N4C25H32 (1)
Stoich.:	AB3C4D25E32 (1)
Weight, g/mol:	462.172562
ΔH_f, kcal/mol:	-60.18
Dipole, Da:	6.27
IP(EA), eV:	-8.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazin-3-yl)phenyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CC(=C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations