Geometry & MOs

Info

ID:	264720
PubChem CID:	103485545
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	271.070071
ΔH_f, kcal/mol:	-123.2
Dipole, Da:	5.74
IP(EA), eV:	-9.28(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC(C1=NC(=CS1)CCC(=O)O)OCC

DOS

IR

Vibrations