Geometry & MOs

Info

ID:	175907
PubChem CID:	75967294
Reduced:	BrSN2O5C18H19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	357.174022
ΔH_f, kcal/mol:	-99.9
Dipole, Da:	7.5
IP(EA), eV:	-10.32(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoroethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C(C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C(C)Br

DOS

IR

Vibrations