Geometry & MOs

Info

ID:	35446
PubChem CID:	7979881
Reduced:	ClN2O6C19H21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-125.13
Dipole, Da:	3.57
IP(EA), eV:	-8.37(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations