Geometry & MOs

Info

ID:	339532
PubChem CID:	127261522
Reduced:	NO9C17H19 (1)
Stoich.:	AB9C17D19 (1)
Weight, g/mol:	417.101034
ΔH_f, kcal/mol:	-335.02
Dipole, Da:	3.81
IP(EA), eV:	-9.52(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[5-phenyl-2-(trifluoromethyl)phenyl]methylsulfanyl]anilino]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)NCC(=O)O)OC(=O)OCC

DOS

IR

Vibrations