Geometry & MOs

Info

ID:	136798
PubChem CID:	52102090
Reduced:	SF2O4N5H15C17 (1)
Stoich.:	AB2C4D5E15F17 (1)
Weight, g/mol:	526.155592
ΔH_f, kcal/mol:	-177.62
Dipole, Da:	6.17
IP(EA), eV:	-9.52(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(butylcarbamoylsulfamoyl)phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N2C=NC3=C2N=CN(C3=O)CC(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations