Geometry & MOs

Info

ID:	243920
PubChem CID:	99300602
Reduced:	SN2O5C26H28 (1)
Stoich.:	AB2C5D26E28 (1)
Weight, g/mol:	455.151492
ΔH_f, kcal/mol:	-132.67
Dipole, Da:	5.45
IP(EA), eV:	-8.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(3-methylindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations