Geometry & MOs

Info

ID:

148224

PubChem CID:

53787886

Reduced:

N2O7C22H29 (1)

Stoich.:

A2B7C22D29 (1)

Weight, g/mol:

553.049268

ΔHf, kcal/mol:

-245.25

Dipole, Da:

9.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.772062

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-3-(acetamidomethyl)-7-[[2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(CC[N+]1(C(=O)OC(C)(C)C)C(=O)ON2C(=O)CCC2=O)OCC3=CC=CC=C3

DOS

IR

Vibrations