Geometry & MOs

Info

ID:	317797
PubChem CID:	126645787
Reduced:	N3O5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	571.18157
ΔH_f, kcal/mol:	-152.31
Dipole, Da:	2.92
IP(EA), eV:	-8.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-fluoro-4-[3-[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-6-methylsulfonylphenyl]propan-2-ol

Drug info:

PubChemData

Smile

CN1CC(OC2=C1C=C(C=C2)C(=O)NO)C(=O)NC3CCOCC3

DOS

IR

Vibrations