Geometry & MOs

Info

ID:	60264
PubChem CID:	26676034
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	426.124943
ΔH_f, kcal/mol:	-11.37
Dipole, Da:	1.69
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-4-(4-methylphenyl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)oxyacetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC3=CC=CC=[N+]3[O-]

DOS

IR

Vibrations