Geometry & MOs

Info

ID:	60019
PubChem CID:	26664814
Reduced:	ClN2S2O3C19H19 (1)
Stoich.:	AB2C2D3E19F19 (1)
Weight, g/mol:	343.079076
ΔH_f, kcal/mol:	-72.38
Dipole, Da:	5.9
IP(EA), eV:	-9.11(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations