Geometry & MOs

Info

ID:	176883
PubChem CID:	76107219
Reduced:	N2O3C9H18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	504.112384
ΔH_f, kcal/mol:	-142.56
Dipole, Da:	2.15
IP(EA), eV:	-9.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-propoxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CO)C=O)N

DOS

IR

Vibrations