Geometry & MOs

Info

ID:

193597

PubChem CID:

78412001

Reduced:

O5C21H28 (1)

Stoich.:

A5B21C28 (1)

Weight, g/mol:

625.09104

ΔHf, kcal/mol:

-198.73

Dipole, Da:

7.95

IP(EA), eV:

 -9.04(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C=C(C)C=CC1=CC2=CC(=O)C(C(C2CO1)OC(=O)C)(C)O

DOS

IR

Vibrations