Geometry & MOs

Info

ID:

179880

PubChem CID:

76549418

Reduced:

NaSBr2N5O7C18H19 (1)

Stoich.:

ABC2D5E7F18G19 (1)

Weight, g/mol:

231.125929

ΔHf, kcal/mol:

-327.67

Dipole, Da:

12.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759276

Charge, e:

 0

Chem-info

IUPAC name:

3-but-2-enyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C(=NNC2=C(C=CC(=C2)NC(=O)C(CBr)Br)S(=O)(=O)O)C1=O)C)C(=O)N.[Na+]

DOS

IR

Vibrations