Geometry & MOs

Info

ID:

148184

PubChem CID:

53787846

Reduced:

ClSO3N5C24H30 (1)

Stoich.:

ABC3D5E24F30 (1)

Weight, g/mol:

454.061691

ΔHf, kcal/mol:

15.57

Dipole, Da:

6.69

IP(EA), eV:

 -8.78(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7R)-3-[carbamoyloxy(methoxy)methyl]-8-oxo-7-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1O)C(CC)N=O)OCCCCSC2=C(C=C(C=C2)N3C(=NN=N3)C)Cl

DOS

IR

Vibrations