Geometry & MOs

Info

ID:	234781
PubChem CID:	92303481
Reduced:	SN2O2C22H26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	382.171499
ΔH_f, kcal/mol:	-71.66
Dipole, Da:	5.87
IP(EA), eV:	-8.46(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2[C@@H](SCC2=O)C3=CC(=CC=C3)NC(=O)C(C)(C)C)C

DOS

IR

Vibrations