Geometry & MOs

Info

ID:	227241
PubChem CID:	87560782
Reduced:	SN2F4O5H12C14 (1)
Stoich.:	AB2C4D5E12F14 (1)
Weight, g/mol:	581.917231
ΔH_f, kcal/mol:	-330.14
Dipole, Da:	3.21
IP(EA), eV:	-9.67(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]ethyl]-4-nitro-3-sulfobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=C1)OS(=O)(=O)C(F)(F)F)C2=C(C=CC(=C2)F)C

DOS

IR

Vibrations