Geometry & MOs

Info

ID:	234930
PubChem CID:	92303735
Reduced:	SN2O2C23H28 (1)
Stoich.:	AB2C2D23E28 (1)
Weight, g/mol:	424.218449
ΔH_f, kcal/mol:	-70.12
Dipole, Da:	5.07
IP(EA), eV:	-8.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1N2[C@@H](SCC2=O)C3=CC=C(C=C3)NC(=O)C(C)(C)C

DOS

IR

Vibrations