Geometry & MOs

Info

ID:	59707
PubChem CID:	24894524
Reduced:	NO2S3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	411.186815
ΔH_f, kcal/mol:	4.14
Dipole, Da:	7.87
IP(EA), eV:	-8.93(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-azabicyclo[2.2.1]heptan-7-yl)-3-hydroxythiophen-2-yl]-2-cyclopentyl-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCSC(=S)SCC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations