Geometry & MOs

Info

ID:	160216
PubChem CID:	57309562
Reduced:	SN4O5C12H14 (1)
Stoich.:	AB4C5D12E14 (1)
Weight, g/mol:	485.17329
ΔH_f, kcal/mol:	-70.2
Dipole, Da:	2.55
IP(EA), eV:	-9.59(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl] N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1C=CN=C1CC2=C(C=C(C=C2)O)[N+](=O)[O-]

DOS

IR

Vibrations