Geometry & MOs

Info

ID:	317839
PubChem CID:	126646360
Reduced:	NSF4O4C27H29 (1)
Stoich.:	ABC4D4E27F29 (1)
Weight, g/mol:	581.185907
ΔH_f, kcal/mol:	-323.85
Dipole, Da:	4.92
IP(EA), eV:	-9.19(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[2-(4-fluorophenyl)propyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-2-methylsulfonylphenyl]acetic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC(=C1)OCCCN(CCC2=CC=C(C=C2)F)CC3=CC(=CC=C3)C(F)(F)F)CO

DOS

IR

Vibrations