Geometry & MOs

Info

ID:	392674
PubChem CID:	135017572
Reduced:	O5C18H30 (1)
Stoich.:	A5B18C30 (1)
Weight, g/mol:	259.070071
ΔH_f, kcal/mol:	-233.93
Dipole, Da:	3.87
IP(EA), eV:	-8.78(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-hydroxy-1-[(5S)-5-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]pent-4-en-1-one

Drug info:

PubChemData

Smile

C[C@H](CO)[C@@H]([C@H](C)[C@H]([C@@H](C)COCC1=CC=C(C=C1)OC)O)O

DOS

IR

Vibrations