Geometry & MOs

Info

ID:	415126
PubChem CID:	135088112
Reduced:	SF3N3O5H16C18 (1)
Stoich.:	AB3C3D5E16F18 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-218.66
Dipole, Da:	1.31
IP(EA), eV:	-10.05(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NS(=O)(=O)C2=CC=C(O2)C3=NOC(=C3)C(F)(F)F)CC4=CC=NC=C4

DOS

IR

Vibrations