Geometry & MOs

Info

ID:

214462

PubChem CID:

85083078

Reduced:

SN3O7C27H27 (1)

Stoich.:

AB3C7D27E27 (1)

Weight, g/mol:

537.146424

ΔHf, kcal/mol:

-191.82

Dipole, Da:

1.87

IP(EA), eV:

 -8.53(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC)CS

DOS

IR

Vibrations