Geometry & MOs

Info

ID:

148871

PubChem CID:

53788541

Reduced:

SN3O9H19C22 (1)

Stoich.:

AB3C9D19E22 (1)

Weight, g/mol:

501.0842

ΔHf, kcal/mol:

-177.78

Dipole, Da:

11.21

IP(EA), eV:

 -8.95(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (6S)-3,5,8-trioxo-7-[(2-phenoxyacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)C(N2[C@H]([S@@]1=O)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations