Geometry & MOs

Info

ID:	170677
PubChem CID:	75266920
Reduced:	SN2O2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	304.03402
ΔH_f, kcal/mol:	1.46
Dipole, Da:	4.46
IP(EA), eV:	-9.09(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)C3=CC=CC=C3OC)C

DOS

IR

Vibrations