Geometry & MOs

Info

ID:	68502
PubChem CID:	46508538
Reduced:	NOSC7H7 (3)
Stoich.:	ABCD7E7 (3)
Weight, g/mol:	326.179442
ΔH_f, kcal/mol:	-17.93
Dipole, Da:	5.45
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)NCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

DOS

IR

Vibrations