Geometry & MOs

Info

ID:	234629
PubChem CID:	92303198
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	327.092915
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	3.12
IP(EA), eV:	-8.9(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-3-(4-methylbenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CO2)C(=O)[C@@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations