Geometry & MOs

Info

ID:	10946
PubChem CID:	109337
Reduced:	ClSN3O3C22H28 (1)
Stoich.:	ABC3D3E22F28 (1)
Weight, g/mol:	449.153991
ΔH_f, kcal/mol:	-59.85
Dipole, Da:	5.58
IP(EA), eV:	-8.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethoxy]-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CC(CN(C)C)OCCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations