Geometry & MOs

Info

ID:	60031
PubChem CID:	26665232
Reduced:	SF2N3O4H15C21 (1)
Stoich.:	AB2C3D4E15F21 (1)
Weight, g/mol:	460.123898
ΔH_f, kcal/mol:	-147.24
Dipole, Da:	2.81
IP(EA), eV:	-8.85(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations