Geometry & MOs

Info

ID:	312108
PubChem CID:	126603272
Reduced:	BrFSN2O6C30H40 (1)
Stoich.:	ABCD2E6F30G40 (1)
Weight, g/mol:	506.223929
ΔH_f, kcal/mol:	-269.36
Dipole, Da:	4.15
IP(EA), eV:	-8.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-(butylsulfinylamino)-1,8-dimethyl-6-phenylmethoxy-3,4-dihydro-2H-quinoline-7-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=C(C(=C(C(=C1C(=O)OC2=CC=CC=C2)C)F)Br)N(CC/C=N/[S@](=O)CCCC)C(=O)OC(C)(C)C

DOS

IR

Vibrations