Geometry & MOs

Info

ID:	60265
PubChem CID:	26676046
Reduced:	SN2O5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-111.75
Dipole, Da:	3.1
IP(EA), eV:	-8.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,6-di(propan-2-yl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)COC3=CC=CC=[N+]3[O-]

DOS

IR

Vibrations