Geometry & MOs

Info

ID:	206877
PubChem CID:	80315823
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	4.56
IP(EA), eV:	-8.89(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1,3-thiazol-2-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CN2CCC(CC2)OCCC(=O)O)C

DOS

IR

Vibrations