Geometry & MOs

Info

ID:	234931
PubChem CID:	92303737
Reduced:	SN2O2C25H32 (1)
Stoich.:	AB2C2D25E32 (1)
Weight, g/mol:	424.218449
ΔH_f, kcal/mol:	-82.05
Dipole, Da:	5.98
IP(EA), eV:	-8.77(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-[(2R)-3-(2,3-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)C(=O)NC1=CC=C(C=C1)[C@@H]2N(C(=O)CS2)C3=CC=CC(=C3C)C

DOS

IR

Vibrations