Geometry & MOs

Info

ID:	230517
PubChem CID:	87571201
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	366.995107
ΔH_f, kcal/mol:	-35.07
Dipole, Da:	6.67
IP(EA), eV:	-10.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methyl]-4,4-bis(methylsulfonyl)-1,2-oxazolidin-3-one

Drug info:

PubChemData

Smile

CC1(C/C(=C(/C#N)\C(C#N)O)/CC(=O)C1)C

DOS

IR

Vibrations