Geometry & MOs

Info

ID:	158279
PubChem CID:	56463284
Reduced:	ClN2S2O6C17H25 (1)
Stoich.:	AB2C2D6E17F25 (1)
Weight, g/mol:	471.090035
ΔH_f, kcal/mol:	-246.93
Dipole, Da:	5.4
IP(EA), eV:	-9.36(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CC(OC(C2)C)C

DOS

IR

Vibrations