Geometry & MOs

Info

ID:	159863
PubChem CID:	57288830
Reduced:	ClN2H26C27 (1)
Stoich.:	AB2C26D27 (1)
Weight, g/mol:	323.119129
ΔH_f, kcal/mol:	93.0
Dipole, Da:	1.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.410479
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R)-4-(benzylsulfanylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=CC=CC=CC2=C3C=C(C=[N+](C3=CC=C2)CC)Cl)C=CC4=CC=CC=C41

DOS

IR

Vibrations