Geometry & MOs

Info

ID:

390345

PubChem CID:

134998608

Reduced:

NO4C15H15 (1)

Stoich.:

AB4C15D15 (1)

Weight, g/mol:

478.081027

ΔHf, kcal/mol:

-80.09

Dipole, Da:

5.05

IP(EA), eV:

-8.39(-0.06)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-(4-nitrophenyl)sulfonyl-3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC#CCCC2=COC(=O)N2

DOS

IR

Vibrations