Geometry & MOs

Info

ID:	320643
PubChem CID:	126662287
Reduced:	ClNSF3O6H25C28 (1)
Stoich.:	ABCD3E6F25G28 (1)
Weight, g/mol:	331.11392
ΔH_f, kcal/mol:	-337.75
Dipole, Da:	5.25
IP(EA), eV:	-8.45(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-(2-fluorophenyl)-2-methyl-1-prop-1-enyl-2,4-dihydroquinolin-3-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1/C=C(\C)/C3=C(C=CC=C3Cl)F)N(CC(O2)CCC(=O)O)S(=O)(=O)C4=CC=CC(=C4)OC(F)F

DOS

IR

Vibrations