Geometry & MOs

Info

ID:	317366
PubChem CID:	126636877
Reduced:	Cl2F2O2S2C37H52 (1)
Stoich.:	A2B2C2D2E37F52 (1)
Weight, g/mol:	234.116841
ΔH_f, kcal/mol:	-223.18
Dipole, Da:	0.47
IP(EA), eV:	-8.3(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-8-fluoro-4-methyl-1-prop-2-enyl-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](CC(C1)(C)COC2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)OCC4(C[C@@H](CC(C[C@@H](C4)C)C)C)C)F)F)C

DOS

IR

Vibrations