Geometry & MOs

Info

ID:	187607
PubChem CID:	77596944
Reduced:	O3N4C34H44 (1)
Stoich.:	A3B4C34D44 (1)
Weight, g/mol:	554.154529
ΔH_f, kcal/mol:	-93.9
Dipole, Da:	5.24
IP(EA), eV:	-9.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[2-[[2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethyl]amino]ethoxy]-2-phenyl-1-benzothiophen-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCC4CCCCC4

DOS

IR

Vibrations