Geometry & MOs

Info

ID:	64100
PubChem CID:	29196125
Reduced:	FSN3O3C25H26 (1)
Stoich.:	ABC3D3E25F26 (1)
Weight, g/mol:	311.078013
ΔH_f, kcal/mol:	-90.25
Dipole, Da:	1.57
IP(EA), eV:	-9.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isoquinolin-2-yl-(6-fluoro-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations