Geometry & MOs

Info

ID:

44816

PubChem CID:

10506035

Reduced:

OSN3H12C13 (2)

Stoich.:

ABC3D12E13 (2)

Weight, g/mol:

516.265564

ΔHf, kcal/mol:

52.21

Dipole, Da:

3.0

IP(EA), eV:

 -9.14(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl (5R,6S)-3-[(5R)-2-methyl-1,2-oxazolidin-5-yl]-7-oxo-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=C(C=CC=N2)C(=O)NCCSSCCNC(=O)C3=C(N=CC=C3)C4=CC=CC=N4

DOS

IR

Vibrations