Geometry & MOs

Info

ID:	33306
PubChem CID:	7885889
Reduced:	OS2N3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	390.087198
ΔH_f, kcal/mol:	53.19
Dipole, Da:	3.65
IP(EA), eV:	-8.69(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)C#N)CC=C)C

DOS

IR

Vibrations