Geometry & MOs

Info

ID:	33404
PubChem CID:	7886288
Reduced:	OS2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	390.103814
ΔH_f, kcal/mol:	-25.51
Dipole, Da:	5.03
IP(EA), eV:	-8.97(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC[C@@H](C)NC(=O)CSC1=NC=NC2=C1C3=C(S2)CCCC3

DOS

IR

Vibrations