Geometry & MOs

Info

ID:	268414
PubChem CID:	103599302
Reduced:	SF2N3O3H21C22 (1)
Stoich.:	AB2C3D3E21F22 (1)
Weight, g/mol:	442.113333
ΔH_f, kcal/mol:	-132.5
Dipole, Da:	3.88
IP(EA), eV:	-9.13(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(ethylsulfamoyl)phenyl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=CC(=O)NC(C)C2=NC(=CS2)C3=CC=NC=C3)OC(F)F

DOS

IR

Vibrations