Geometry & MOs

Info

ID:	41967
PubChem CID:	8147975
Reduced:	SN3O3H15C18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	359.029539
ΔH_f, kcal/mol:	-15.29
Dipole, Da:	6.86
IP(EA), eV:	-8.83(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=C(C=C3C=CC(=O)C(=C3)OC)C#N)N2)C

DOS

IR

Vibrations