Geometry & MOs

Info

ID:	188507
PubChem CID:	77725645
Reduced:	FS2N3O5C23H28 (1)
Stoich.:	AB2C3D5E23F28 (1)
Weight, g/mol:	265.110279
ΔH_f, kcal/mol:	-213.63
Dipole, Da:	6.23
IP(EA), eV:	-8.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-6-(2-phenylethyl)-4aH-quinolin-4-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N(C1CCCNCC1=O)S(=O)(=O)C2=CC=CC(=C2)F)NC(=O)C3=CC=CS3

DOS

IR

Vibrations