Geometry & MOs

Info

ID:	234049
PubChem CID:	92297619
Reduced:	O5C19H20 (1)
Stoich.:	A5B19C20 (1)
Weight, g/mol:	185.05105
ΔH_f, kcal/mol:	-165.86
Dipole, Da:	3.83
IP(EA), eV:	-9.91(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[[(2R)-but-3-yn-2-yl]oxymethyl]-1,3-oxazolidine-2-thione

Drug info:

PubChemData

Smile

C[C@@]12[C@H](C=C[C@@H]([C@@H]1C(=O)C3=CC=CC=C3C2=O)CC(=O)OC)OC

DOS

IR

Vibrations