Geometry & MOs

Info

ID:	238186
PubChem CID:	92729771
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	377.190341
ΔH_f, kcal/mol:	-154.99
Dipole, Da:	5.0
IP(EA), eV:	-8.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-phenylbutanamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC[C@@H](C3)C(=O)NCCC

DOS

IR

Vibrations