Geometry & MOs

Info

ID:

220372

PubChem CID:

85182216

Reduced:

ClSO5H23C25 (1)

Stoich.:

ABC5D23E25 (1)

Weight, g/mol:

465.185963

ΔHf, kcal/mol:

-143.52

Dipole, Da:

8.68

IP(EA), eV:

 -9.64(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[3-[4-[amino(nitroso)methylidene]cyclohexa-2,5-dien-1-ylidene]-4-hydroxy-1,2-oxazolidin-5-yl]acetyl]amino]-2-(butoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C(=CC2=COC3CCCCC3C2=O)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations