Geometry & MOs

Info

ID:

219094

PubChem CID:

85090502

Reduced:

O2N4C35H44 (1)

Stoich.:

A2B4C35D44 (1)

Weight, g/mol:

552.065253

ΔHf, kcal/mol:

29.58

Dipole, Da:

4.15

IP(EA), eV:

 -7.6(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC6=C(C1=N2)CC(C6=C5C)OCCO)N4)CC)C)CC)C)C

DOS

IR

Vibrations