Geometry & MOs

Info

ID:

188270

PubChem CID:

77692305

Reduced:

N2O6H12C13 (1)

Stoich.:

A2B6C12D13 (1)

Weight, g/mol:

640.398856

ΔHf, kcal/mol:

-157.87

Dipole, Da:

7.4

IP(EA), eV:

 -10.67(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-[4,4-dimethyl-1-oxo-1-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1C(C(=O)N(C1=O)CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

DOS

IR

Vibrations