Geometry & MOs

Info

ID:

176983

PubChem CID:

76122009

Reduced:

FN3O6C35H38 (1)

Stoich.:

AB3C6D35E38 (1)

Weight, g/mol:

604.138319

ΔHf, kcal/mol:

-237.92

Dipole, Da:

5.2

IP(EA), eV:

 -8.69(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-amino-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]oxymethyl 7-amino-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1NC(=O)CN2CC(C(C2C3=CC=C(C=C3)N4CCCC4=O)C(=O)O)C5=CC6=C(C(=C5)F)OCO6)CC)C

DOS

IR

Vibrations