Geometry & MOs

Info

ID:	243081
PubChem CID:	99215422
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	474.182458
ΔH_f, kcal/mol:	-14.44
Dipole, Da:	10.44
IP(EA), eV:	-9.02(-0.96)
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]-5-(4-methoxyphenyl)pentan-1-one

Drug info:

PubChemData

Smile

CCC[C@H](C)NS(=O)(=O)C1=CN=C(C=C1)NCC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations