Geometry & MOs

Info

ID:	449132
PubChem CID:	135296234
Reduced:	SF3O3N5H22C26 (1)
Stoich.:	AB3C3D5E22F26 (1)
Weight, g/mol:	202.02998
ΔH_f, kcal/mol:	-132.58
Dipole, Da:	9.08
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxyphenyl)methyl methanesulfonate

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1C2=NC=C(C=N2)C3=CC4=C(C=C3F)N=C5N4[C@H](C6[C@H]5C6)C7=CC=CC=C7OC(F)F

DOS

IR

Vibrations