Geometry & MOs

Info

ID:

343

PubChem CID:

2622

Reduced:

S2O5N6C19H24 (1)

Stoich.:

A2B5C6D19E24 (1)

Weight, g/mol:

480.12496

ΔHf, kcal/mol:

-68.96

Dipole, Da:

14.35

IP(EA), eV:

 -8.35(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-]

DOS

IR

Vibrations