Geometry & MOs

Info

ID:	190166
PubChem CID:	77960451
Reduced:	NF2S2O4C23H27 (1)
Stoich.:	AB2C2D4E23F27 (1)
Weight, g/mol:	332.198759
ΔH_f, kcal/mol:	-232.94
Dipole, Da:	9.11
IP(EA), eV:	-9.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-4-[3-(hydroxymethyl)-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol

Drug info:

PubChemData

Smile

CCC1CC2CC(CCC2NS1(=O)=O)(C3=C(C=CC(=C3)F)F)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations