Geometry & MOs

Info

ID:

176801

PubChem CID:

76101538

Reduced:

SO5N8C34H57 (1)

Stoich.:

AB5C8D34E57 (1)

Weight, g/mol:

555.012316

ΔHf, kcal/mol:

-247.17

Dipole, Da:

11.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.869933

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)CCCCCCCCCCCNC(=O)CCCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C

DOS

IR

Vibrations