Geometry & MOs

Info

ID:	41968
PubChem CID:	8147976
Reduced:	ClFOSN3H11C17 (1)
Stoich.:	ABCDE3F11G17 (1)
Weight, g/mol:	343.059089
ΔH_f, kcal/mol:	1.45
Dipole, Da:	4.46
IP(EA), eV:	-8.87(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,4-difluorophenyl)-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(=N2)/C(=C/C3=C(C=CC=C3Cl)F)/C#N)C

DOS

IR

Vibrations