Geometry & MOs

Info

ID:

176793

PubChem CID:

76101086

Reduced:

NO3C7H11 (2)

Stoich.:

AB3C7D11 (2)

Weight, g/mol:

565.062043

ΔHf, kcal/mol:

-263.07

Dipole, Da:

2.32

IP(EA), eV:

 -8.32(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC1=C(NC(=C1)O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations