Geometry & MOs

Info

ID:	81609
PubChem CID:	49854920
Reduced:	SO3N6H22C24 (1)
Stoich.:	AB3C6D22E24 (1)
Weight, g/mol:	509.162057
ΔH_f, kcal/mol:	6.65
Dipole, Da:	11.99
IP(EA), eV:	-8.72(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations