Geometry & MOs

Info

ID:	393190
PubChem CID:	135019675
Reduced:	NO2C23H25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	291.075157
ΔH_f, kcal/mol:	32.44
Dipole, Da:	1.85
IP(EA), eV:	-9.02(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]pent-4-en-1-one

Drug info:

PubChemData

Smile

C=C[C@H]1[C@@H]([C@H](CN1CC#C)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations