Geometry & MOs

Info

ID:	447617
PubChem CID:	135284268
Reduced:	S2F3O3N6C20H21 (1)
Stoich.:	A2B3C3D6E20F21 (1)
Weight, g/mol:	473.124312
ΔH_f, kcal/mol:	-160.66
Dipole, Da:	9.19
IP(EA), eV:	-9.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-fluoro-4-(3-phenylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CN([C@@H](C[C@@H]1C(F)(F)F)C2=CC=NN2)C3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=NS5

DOS

IR

Vibrations