Geometry & MOs

Info

ID:	377783
PubChem CID:	134223848
Reduced:	FNO6C23H26 (1)
Stoich.:	ABC6D23E26 (1)
Weight, g/mol:	417.134301
ΔH_f, kcal/mol:	-253.75
Dipole, Da:	14.92
IP(EA), eV:	-9.11(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-tert-butyl-10-chloro-2-oxo-9-[(3R)-oxolan-3-yl]oxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(C2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OC4CC(C4)OC)F

DOS

IR

Vibrations