Geometry & MOs

Info

ID:	227189
PubChem CID:	87560495
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	462.111265
ΔH_f, kcal/mol:	-32.69
Dipole, Da:	3.55
IP(EA), eV:	-8.56(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(benzylsulfinylmethyl)-4-methoxy-3-phenyl-6-(trifluoromethyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CCCCN(C1=CC=CC=C1)C(CCC)C=O

DOS

IR

Vibrations