Geometry & MOs

Info

ID:	419576
PubChem CID:	135108445
Reduced:	FNSO5C12H14 (1)
Stoich.:	ABCD5E12F14 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-237.81
Dipole, Da:	4.57
IP(EA), eV:	-10.13(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@H]1O)C(=O)O)S(=O)(=O)C2=CC=CC(=C2)F

DOS

IR

Vibrations