Geometry & MOs

Info

ID:

81179

PubChem CID:

49854436

Reduced:

O3N5C22H25 (1)

Stoich.:

A3B5C22D25 (1)

Weight, g/mol:

602.107692

ΔHf, kcal/mol:

-89.38

Dipole, Da:

9.17

IP(EA), eV:

 -8.91(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;(7R)-7-[[(2R)-2-formyloxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;pentahydrate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC2=C(CC(NC2)C3=NC4=C(C=CC=C4N3)C(=O)N)C=C1

DOS

IR

Vibrations