Geometry & MOs

Info

ID:	245461
PubChem CID:	99445069
Reduced:	FN2O2S2H15C20 (1)
Stoich.:	AB2C2D2E15F20 (1)
Weight, g/mol:	406.169271
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	3.66
IP(EA), eV:	-9.08(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N(CC2=CC=CO2)C(=O)CC3=CSC(=N3)C4=CSC=C4)F

DOS

IR

Vibrations