Geometry & MOs

Info

ID:	373055
PubChem CID:	131309203
Reduced:	ClNO4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	281.964
ΔH_f, kcal/mol:	-151.59
Dipole, Da:	7.92
IP(EA), eV:	-9.19(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-hydroxy-3-[(4S)-2-oxo-1,3-oxazolidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)Cl)O)[C@H]2COC(=O)N2

DOS

IR

Vibrations