Geometry & MOs

Info

ID:	447589
PubChem CID:	135284058
Reduced:	F3N3C10H14 (1)
Stoich.:	A3B3C10D14 (1)
Weight, g/mol:	524.116367
ΔH_f, kcal/mol:	-130.98
Dipole, Da:	3.74
IP(EA), eV:	-9.56(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)[C@@H]2C[C@@H](CCN2)C(F)(F)F

DOS

IR

Vibrations