Geometry & MOs

Info

ID:	347784
PubChem CID:	127272846
Reduced:	FSO2N3C15H22 (1)
Stoich.:	ABC2D3E15F22 (1)
Weight, g/mol:	375.141676
ΔH_f, kcal/mol:	-105.31
Dipole, Da:	4.41
IP(EA), eV:	-8.73(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-fluoropyridin-3-yl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations