Geometry & MOs

Info

ID:

168580

PubChem CID:

74989812

Reduced:

O22N23C95H133 (1)

Stoich.:

A22B23C95D133 (1)

Weight, g/mol:

403.033782

ΔHf, kcal/mol:

-907.4

Dipole, Da:

17.92

IP(EA), eV:

 -8.56(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;3-[(3,4-dihydroxybenzoyl)oxymethyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCCCOCCOCCOCCNC(=O)CCC(=O)NC(CCCC)C(=O)NC(CCC(=O)O)C(=O)NC(CC4=CN=CN4)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)O)NC(=O)C

DOS

IR

Vibrations