Geometry & MOs

Info

ID:	153097
PubChem CID:	56312230
Reduced:	S2N3O5C23H31 (1)
Stoich.:	A2B3C5D23E31 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-154.05
Dipole, Da:	1.0
IP(EA), eV:	-7.86(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations