Geometry & MOs

Info

ID:	311719
PubChem CID:	126597310
Reduced:	FNO6C27H32 (1)
Stoich.:	ABC6D27E32 (1)
Weight, g/mol:	501.139922
ΔH_f, kcal/mol:	-259.39
Dipole, Da:	5.8
IP(EA), eV:	-8.78(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[(2,3-difluorophenyl)methoxycarbonyloxy]-5-fluoro-3,4-dihydro-1H-isoquinolin-8-yl]-4-methoxyphenyl]acetic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CC(=O)OC)C2=C3CN(CCC3=C(C=C2)F)OC(=O)OC4CCCCC4

DOS

IR

Vibrations