Geometry & MOs

Info

ID:	393742
PubChem CID:	135021588
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	307.120843
ΔH_f, kcal/mol:	-77.26
Dipole, Da:	4.14
IP(EA), eV:	-9.39(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-benzyl-3-[2-(4-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(/C(=C\COC)/C2)C=C

DOS

IR

Vibrations