Geometry & MOs

Info

ID:	229342
PubChem CID:	87567444
Reduced:	PSF2N3O6C22H30 (1)
Stoich.:	ABC2D3E6F22G30 (1)
Weight, g/mol:	410.215197
ΔH_f, kcal/mol:	-372.73
Dipole, Da:	5.59
IP(EA), eV:	-9.47(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dihydroxyhexyl hydrogen carbonate;6-(3-hydroxy-2,2-dimethylpropoxy)-6-oxohexanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCNC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)NS(=O)(=O)CCN

DOS

IR

Vibrations