Geometry & MOs

Info

ID:	390703
PubChem CID:	135000427
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	341.085242
ΔH_f, kcal/mol:	-48.82
Dipole, Da:	5.1
IP(EA), eV:	-9.71(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[(3S)-3-(4-chlorophenyl)-3-sulfanylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C[N+](=O)[O-])[C@H](CC1=CC=CC=C1)C=O

DOS

IR

Vibrations