Geometry & MOs

Info

ID:

148242

PubChem CID:

53787904

Reduced:

SN3O4C24H31 (1)

Stoich.:

AB3C4D24E31 (1)

Weight, g/mol:

488.044987

ΔHf, kcal/mol:

-137.92

Dipole, Da:

8.34

IP(EA), eV:

 -9.45(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(6R,7R)-3-(acetyloxymethyl)-1-[(2-amino-2-phenylacetyl)amino]-7-(dichloromethyl)-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)CCCCCC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations