Geometry & MOs

Info

ID:	147980
PubChem CID:	53787642
Reduced:	NC39H81 (1)
Stoich.:	AB39C81 (1)
Weight, g/mol:	467.05694
ΔH_f, kcal/mol:	-176.84
Dipole, Da:	1.56
IP(EA), eV:	-9.04(3.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)N

DOS

IR

Vibrations