Geometry & MOs

Info

ID:

348

PubChem CID:

2628

Reduced:

S4N6O7C20H20 (1)

Stoich.:

A4B6C7D20E20 (1)

Weight, g/mol:

584.027632

ΔHf, kcal/mol:

-138.23

Dipole, Da:

6.89

IP(EA), eV:

 -9.13(-1.25)

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-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O)CC(=O)O

DOS

IR

Vibrations