Geometry & MOs

Info

ID:	311721
PubChem CID:	126597347
Reduced:	FNO4C32H36 (1)
Stoich.:	ABC4D32E36 (1)
Weight, g/mol:	479.174416
ΔH_f, kcal/mol:	-203.13
Dipole, Da:	1.45
IP(EA), eV:	-9.34(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-ethoxy-3-(5-fluoro-2-phenylmethoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-8-yl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)CC(=O)OC(C)(C)C)C2=C3CN(CCC3=C(C=C2)F)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations