Geometry & MOs

Info

ID:	43651
PubChem CID:	10321593
Reduced:	ClNO5H22C25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	451.100892
ΔH_f, kcal/mol:	-152.83
Dipole, Da:	2.65
IP(EA), eV:	-8.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-chloro-5-[(2-methyl-3-phenylsulfanylindol-1-yl)methyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1C2=C(C=C(C=C2)Cl)C3=CC(=C(C(=C31)C4=CC=CC=C4)C)OC(=O)OCC

DOS

IR

Vibrations