Geometry & MOs

Info

ID:	449125
PubChem CID:	135296181
Reduced:	SN3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	338.15518
ΔH_f, kcal/mol:	66.86
Dipole, Da:	2.8
IP(EA), eV:	-8.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-tert-butyl-4-(carboxymethyl)-6,6-dimethyl-4,5-dihydrocyclopenta[b]thiophen-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC2C=CC(=CC2N1)CC(C)C3=NC4C=CC=CC4S3

DOS

IR

Vibrations