Geometry & MOs

Info

ID:	60965
PubChem CID:	26703700
Reduced:	FO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	475.156577
ΔH_f, kcal/mol:	-34.68
Dipole, Da:	3.69
IP(EA), eV:	-8.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-ethoxy-4-propoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)F

DOS

IR

Vibrations