Geometry & MOs

Info

ID:	79330
PubChem CID:	49748092
Reduced:	SF2N2O3H20C21 (1)
Stoich.:	AB2C2D3E20F21 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-131.86
Dipole, Da:	3.0
IP(EA), eV:	-8.95(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-pyridin-3-yloxamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=CC(=CC(=C3)F)F)C4=CC=CO4

DOS

IR

Vibrations