Geometry & MOs

Info

ID:	41986
PubChem CID:	8148059
Reduced:	SF2N3O3H15C19 (1)
Stoich.:	AB2C3D3E15F19 (1)
Weight, g/mol:	395.093977
ΔH_f, kcal/mol:	-128.49
Dipole, Da:	4.07
IP(EA), eV:	-8.89(-1.63)
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-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C/C3=CC(=C(C=C3)OC)OC(F)F)/C#N)C

DOS

IR

Vibrations