Geometry & MOs

Info

ID:

177156

PubChem CID:

76142102

Reduced:

S3N6O9H20C25 (1)

Stoich.:

A3B6C9D20E25 (1)

Weight, g/mol:

742.000477

ΔHf, kcal/mol:

-182.24

Dipole, Da:

6.39

IP(EA), eV:

 -9.03(-2.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-[2-(3,5-dichloro-2-hydroxyanilino)-2-oxoethoxy]imino-2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC(=C(C=C3)O)O)NC(=O)C4C=NC=CC4=O)C(=O)O)C(=S)C5=NN=C(S5)CO

DOS

IR

Vibrations