Geometry & MOs

Info

ID:

44643

PubChem CID:

10504630

Reduced:

N2O3C12H16 (2)

Stoich.:

A2B3C12D16 (2)

Weight, g/mol:

474.211449

ΔHf, kcal/mol:

-122.56

Dipole, Da:

9.37

IP(EA), eV:

 -8.3(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[(3R,5S)-2-benzyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Drug info:

PubChemData

Smile

CCN(CC)CCCN(CC(=O)NC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations