Geometry & MOs

Info

ID:	317805
PubChem CID:	126645811
Reduced:	SN2F3O5H17C18 (1)
Stoich.:	AB2C3D5E17F18 (1)
Weight, g/mol:	567.170257
ΔH_f, kcal/mol:	-278.78
Dipole, Da:	4.85
IP(EA), eV:	-8.95(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-fluoro-6-methylsulfonyl-4-[3-[2-phenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)CN2CCOC3=C2C=C(C=C3)C(=O)NO)C(F)(F)F

DOS

IR

Vibrations