Geometry & MOs

Info

ID:	41976
PubChem CID:	8148015
Reduced:	ClSO2N3C20H22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	379.169154
ΔH_f, kcal/mol:	-44.67
Dipole, Da:	5.38
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-(4-ethoxyphenoxy)phenyl]sulfonylamino]propyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Cl)OC)CC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

DOS

IR

Vibrations