Geometry & MOs

Info

ID:	312104
PubChem CID:	126603252
Reduced:	FSN2O6C30H41 (1)
Stoich.:	ABC2D6E30F41 (1)
Weight, g/mol:	510.198857
ΔH_f, kcal/mol:	-284.17
Dipole, Da:	1.55
IP(EA), eV:	-8.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-(butylsulfinylamino)-5-fluoro-6-methyl-8-phenylmethoxy-1,2,3,4-tetrahydroquinoline-7-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=C2C(=C(C(=C1C(=O)OC3=CC=CC=C3)C)F)C(CCN2C(=O)OC(C)(C)C)N[S@](=O)CCCC

DOS

IR

Vibrations