Geometry & MOs

Info

ID:	401379
PubChem CID:	135051096
Reduced:	CHKOSN2 (2)
Stoich.:	ABCDEF2 (2)
Weight, g/mol:	439.166473
ΔH_f, kcal/mol:	-87.68
Dipole, Da:	6.72
IP(EA), eV:	-7.52(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(benzenesulfonyl)pyrrol-3-yl]-1-(1,3-dioxolan-2-yl)-6,6-dimethoxyhexan-3-ol

Drug info:

PubChemData

Smile

C(=N/[N+](=O)[O-])(\N)/N=C([S-])[S-].[K+].[K+]

DOS

IR

Vibrations