Geometry & MOs

Info

ID:	447585
PubChem CID:	135284008
Reduced:	NF3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	558.10186
ΔH_f, kcal/mol:	-140.67
Dipole, Da:	3.97
IP(EA), eV:	-9.48(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CN[C@@H](C[C@@H]1C(F)F)C2=CC=C(C=C2)F

DOS

IR

Vibrations