Geometry & MOs

Info

ID:	157278
PubChem CID:	56422495
Reduced:	ClSO3N5H12C14 (1)
Stoich.:	ABC3D5E12F14 (1)
Weight, g/mol:	460.141656
ΔH_f, kcal/mol:	-12.0
Dipole, Da:	4.09
IP(EA), eV:	-9.22(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)NCCC(=O)OCC3=C(SN=N3)Cl

DOS

IR

Vibrations