Geometry & MOs

Info

ID:

146528

PubChem CID:

53700585

Reduced:

S2N3Cl4O4C41H51 (1)

Stoich.:

A2B3C4D4E41F51 (1)

Weight, g/mol:

356.030077

ΔHf, kcal/mol:

-158.02

Dipole, Da:

7.17

IP(EA), eV:

 -8.38(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-3-(fluoromethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)N(C2=C(C(=O)N(N2)C3=C(C=C(C=C3Cl)Cl)Cl)SC4=C(C=C(C=C4)C(C)C)C(C)C)C(=O)C)Cl

DOS

IR

Vibrations