Geometry & MOs

Info

ID:	304271
PubChem CID:	124500423
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	223.0667
ΔH_f, kcal/mol:	-123.41
Dipole, Da:	3.79
IP(EA), eV:	-9.79(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-pyridin-2-ylthiane-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)[C@@H](C)OC)C(=O)O

DOS

IR

Vibrations