Geometry & MOs

Info

ID:	392526
PubChem CID:	135017045
Reduced:	ClNSO3H16C19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	341.108565
ΔH_f, kcal/mol:	-67.36
Dipole, Da:	1.77
IP(EA), eV:	-8.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-benzyl-3-(2-phenylsulfanylpropanoyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1[C@@H](N(C(=O)O1)C(=O)/C(=C\Cl)/SC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations