Geometry & MOs

Info

ID:

11930

PubChem CID:

123891

Reduced:

S2N5O5C14H15 (1)

Stoich.:

A2B5C5D14E15 (1)

Weight, g/mol:

397.051461

ΔHf, kcal/mol:

-86.26

Dipole, Da:

8.43

IP(EA), eV:

 -9.18(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O

DOS

IR

Vibrations