Geometry & MOs

Info

ID:

408711

PubChem CID:

135081479

Reduced:

P2H5C7 (1)

Stoich.:

A2B5C7 (1)

Weight, g/mol:

255.110673

ΔHf, kcal/mol:

61.5

Dipole, Da:

3.07

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.156018

Charge, e:

0

Chem-info

IUPAC name:

ethyl (E)-4-oxo-4-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]but-2-enoate

Drug info:

PubChemData

Smile

C1=CC2=C[P-]P=C2C=C1

DOS

IR

Vibrations