Geometry & MOs

Info

ID:	447622
PubChem CID:	135284295
Reduced:	FN2S2O5C23H29 (1)
Stoich.:	AB2C2D5E23F29 (1)
Weight, g/mol:	496.150193
ΔH_f, kcal/mol:	-208.33
Dipole, Da:	4.59
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC2=C(C=C1)[C@@H](CCO2)N3CC[C@@H](C[C@@H]3C4=CC=C(C=C4)F)S(=O)(=O)C

DOS

IR

Vibrations