Geometry & MOs

Info

ID:	311720
PubChem CID:	126597319
Reduced:	NF3O6H22C26 (1)
Stoich.:	AB3C6D22E26 (1)
Weight, g/mol:	517.262837
ΔH_f, kcal/mol:	-294.7
Dipole, Da:	7.84
IP(EA), eV:	-9.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-fluoro-8-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-propan-2-ylphenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)O)C2=C3CN(CCC3=C(C=C2)F)OC(=O)OCC4=C(C(=CC=C4)F)F

DOS

IR

Vibrations