Geometry & MOs

Info

ID:	150259
PubChem CID:	53789947
Reduced:	CHN (5)
Stoich.:	ABC (5)
Weight, g/mol:	470.208673
ΔH_f, kcal/mol:	105.51
Dipole, Da:	5.39
IP(EA), eV:	-9.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[acetyloxy-[2-(dimethylsulfamoyl)-5-methoxyphenyl]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CN=C(N1)N2C=NC=N2

DOS

IR

Vibrations