Geometry & MOs

Info

ID:	312998
PubChem CID:	126610671
Reduced:	SO4N5C18H23 (1)
Stoich.:	AB4C5D18E23 (1)
Weight, g/mol:	264.103145
ΔH_f, kcal/mol:	-117.86
Dipole, Da:	4.46
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4S)-3-(butoxymethyl)-4-hydroxycyclopent-2-en-1-yl] methanesulfonate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]1NC3=CC(=NC=N3)N[C@H]4C[C@@H]([C@@H](C4)OS(=O)(=O)N)O

DOS

IR

Vibrations