Geometry & MOs

Info

ID:	245267
PubChem CID:	99443234
Reduced:	ClSO4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	442.103242
ΔH_f, kcal/mol:	-136.79
Dipole, Da:	4.76
IP(EA), eV:	-9.05(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]-3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC(=CC3=C2OCOC3)Cl

DOS

IR

Vibrations