Geometry & MOs

Info

ID:	313092
PubChem CID:	126611837
Reduced:	SF2O3N4C24H24 (1)
Stoich.:	AB2C3D4E24F24 (1)
Weight, g/mol:	265.095023
ΔH_f, kcal/mol:	-149.57
Dipole, Da:	7.59
IP(EA), eV:	-8.6(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-1-benzoyloxy-3-hydroxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=C2C(=CC(=C1)C3=CN(C(=O)C(=C3)C)C)N(C(=N2)C)CC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations