Geometry & MOs

Info

ID:

342

PubChem CID:

2621

Reduced:

S2N6O8C25H28 (1)

Stoich.:

A2B6C8D25E28 (1)

Weight, g/mol:

604.141004

ΔHf, kcal/mol:

-172.56

Dipole, Da:

3.9

IP(EA), eV:

 -8.81(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[7-[[2-(2-amino-1,3-oxazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]oxy]-2-oxoethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=COC(=N4)N)SC2)OC(=O)COC(=O)C(C)(C)C

DOS

IR

Vibrations