Geometry & MOs

Info

ID:	423844
PubChem CID:	135120480
Reduced:	FN3O4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	429.115855
ΔH_f, kcal/mol:	-193.95
Dipole, Da:	6.66
IP(EA), eV:	-8.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidine-1-carbonyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)C(=O)C3=CNC4=CC(=C(C=C4C3=O)F)N5CCOCC5)O

DOS

IR

Vibrations