Geometry & MOs

Info

ID:	41979
PubChem CID:	8148022
Reduced:	ClSO2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	381.114713
ΔH_f, kcal/mol:	-32.67
Dipole, Da:	0.3
IP(EA), eV:	-8.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Cl)OC)CC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations