Geometry & MOs

Info

ID:	170680
PubChem CID:	75266923
Reduced:	SN2O2F3C12H13 (1)
Stoich.:	AB2C2D3E12F13 (1)
Weight, g/mol:	270.059362
ΔH_f, kcal/mol:	-193.86
Dipole, Da:	7.48
IP(EA), eV:	-9.33(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloropropyl)-5-ethyl-6-methyl-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=C(SC2=NC(=NC(=O)C12)COCC(F)(F)F)C

DOS

IR

Vibrations