Geometry & MOs

Info

ID:	372730
PubChem CID:	131303407
Reduced:	NSO2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	218.069142
ΔH_f, kcal/mol:	-17.12
Dipole, Da:	3.54
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)O)S(=O)CCC#N

DOS

IR

Vibrations