Geometry & MOs

Info

ID:	81755
PubChem CID:	49855102
Reduced:	NSO4C25H31 (1)
Stoich.:	ABC4D25E31 (1)
Weight, g/mol:	446.212695
ΔH_f, kcal/mol:	-133.96
Dipole, Da:	4.03
IP(EA), eV:	-8.78(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-ethoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanyl-2-methylphenoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SCC(CC#N)COC2=CC=C(C=C2)C(C)C)OC(C)(C)C(=O)O

DOS

IR

Vibrations