Geometry & MOs

Info

ID:	278215
PubChem CID:	103834148
Reduced:	ClSN3O3C8H12 (1)
Stoich.:	ABC3D3E8F12 (1)
Weight, g/mol:	303.057672
ΔH_f, kcal/mol:	-96.39
Dipole, Da:	8.31
IP(EA), eV:	-9.49(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

CN1C=NC(=C1Cl)S(=O)(=O)N2CC[C@@H](C2)O

DOS

IR

Vibrations