Geometry & MOs

Info

ID:

359

PubChem CID:

2652

Reduced:

S2O7N9C22H27 (1)

Stoich.:

A2B7C9D22E27 (1)

Weight, g/mol:

593.147487

ΔHf, kcal/mol:

-106.72

Dipole, Da:

1.42

IP(EA), eV:

 -9.18(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]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

CC1=NN(N=N1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C

DOS

IR

Vibrations