Geometry & MOs

Info

ID:	170679
PubChem CID:	75266922
Reduced:	OS2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	306.064983
ΔH_f, kcal/mol:	29.9
Dipole, Da:	4.62
IP(EA), eV:	-9.13(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC2=NC(=NC(=O)C12)CC3=CSC(=N3)C)C

DOS

IR

Vibrations