Geometry & MOs

Info

ID:

179423

PubChem CID:

76481779

Reduced:

NO7C30H47 (1)

Stoich.:

AB7C30D47 (1)

Weight, g/mol:

550.955396

ΔHf, kcal/mol:

-345.78

Dipole, Da:

1.67

IP(EA), eV:

 -8.72(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2,5-dihydro-1,3-thiazol-4-ylsulfinyl)-2-sulfanylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(C=C2C(CCC(C2(C1(C(=O)CC(C)C=C)O)C)(O)OC(=O)CCN3CCCCC3)(C)C)OC(=O)C

DOS

IR

Vibrations