Geometry & MOs

Info

ID:	170681
PubChem CID:	75266924
Reduced:	ClOSN2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	292.104563
ΔH_f, kcal/mol:	-18.2
Dipole, Da:	4.89
IP(EA), eV:	-9.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-(3-fluorophenyl)-6-methyl-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=C(SC2=NC(=NC(=O)C12)CCCCl)C

DOS

IR

Vibrations