Geometry & MOs

Info

ID:	234804
PubChem CID:	92303525
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-41.56
Dipole, Da:	6.23
IP(EA), eV:	-8.65(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])C2=CNC3=CC=CC=C32

DOS

IR

Vibrations