Geometry & MOs

Info

ID:	447578
PubChem CID:	135283972
Reduced:	O2N3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	519.165526
ΔH_f, kcal/mol:	-43.45
Dipole, Da:	1.88
IP(EA), eV:	-10.29(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R)-7-benzylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidine

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=CN=NC=C2)C(=O)O

DOS

IR

Vibrations