Geometry & MOs

Info

ID:	447621
PubChem CID:	135284283
Reduced:	S2F3O3N5C23H24 (1)
Stoich.:	A2B3C3D5E23F24 (1)
Weight, g/mol:	496.150193
ΔH_f, kcal/mol:	-167.21
Dipole, Da:	9.44
IP(EA), eV:	-9.12(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-ethyl-4-[(2R,4S)-2-(4-fluorophenyl)-4-methylsulfonylpiperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1N3CCN(C[C@H]3C4=CC=C(C=C4)F)CC(F)F)C=CC(=C2)S(=O)(=O)NC5=NC=NS5

DOS

IR

Vibrations