Geometry & MOs

Info

ID:	175315
PubChem CID:	75881876
Reduced:	N2O3C20H33 (1)
Stoich.:	A2B3C20D33 (1)
Weight, g/mol:	432.171893
ΔH_f, kcal/mol:	-106.11
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756097
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylphenoxy)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NCC(C)[NH+]2CCCC(C2)C)OCC

DOS

IR

Vibrations