Geometry & MOs

Info

ID:	317826
PubChem CID:	126646241
Reduced:	NO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	509.164778
ΔH_f, kcal/mol:	-123.76
Dipole, Da:	3.83
IP(EA), eV:	-9.9(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)ethyl]-3-(3-methylsulfonylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C=C[C@H]([C@@H]2O1)N3C(=O)C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations