Geometry & MOs

Info

ID:	322070
PubChem CID:	126668494
Reduced:	SN3O3F4H23C24 (1)
Stoich.:	AB3C3D4E23F24 (1)
Weight, g/mol:	276.073262
ΔH_f, kcal/mol:	-256.72
Dipole, Da:	6.54
IP(EA), eV:	-9.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine

Drug info:

PubChemData

Smile

C[C@]1(CCOC2=C1C=CC(=C2)S(=O)(=O)NC3=NC=CC=N3)C4=C(C=C(C=C4)C(F)(F)F)CCCF

DOS

IR

Vibrations