Geometry & MOs

Info

ID:	234970
PubChem CID:	92303804
Reduced:	FN2O2S2H17C21 (1)
Stoich.:	AB2C2D2E17F21 (1)
Weight, g/mol:	410.202799
ΔH_f, kcal/mol:	-53.63
Dipole, Da:	7.68
IP(EA), eV:	-8.84(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2[C@H](SCC2=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4)F

DOS

IR

Vibrations