Geometry & MOs

Info

ID:

46987

PubChem CID:

10528771

Reduced:

N5O5C25H31 (1)

Stoich.:

A5B5C25D31 (1)

Weight, g/mol:

481.071049

ΔHf, kcal/mol:

-30.35

Dipole, Da:

14.57

IP(EA), eV:

 -9.48(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-[(2-chlorophenyl)methoxyimino]propanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

DOS

IR

Vibrations