Geometry & MOs

Info

ID:	343983
PubChem CID:	127267159
Reduced:	FSN2O5C12H15 (1)
Stoich.:	ABC2D5E12F15 (1)
Weight, g/mol:	321.043771
ΔH_f, kcal/mol:	-221.91
Dipole, Da:	6.6
IP(EA), eV:	-9.57(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-chloropropylsulfonylamino)-3-hydroxybenzoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NNS(=O)(=O)C1=CC=CC(=C1F)C(=O)O

DOS

IR

Vibrations