Geometry & MOs

Info

ID:	390355
PubChem CID:	134998634
Reduced:	ClN2O2S2H19C20 (1)
Stoich.:	AB2C2D2E19F20 (1)
Weight, g/mol:	350.11227
ΔH_f, kcal/mol:	18.2
Dipole, Da:	4.62
IP(EA), eV:	-8.88(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R,5S)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-4-yl]-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H](N(O1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)N4CCSC4=S

DOS

IR

Vibrations