Geometry & MOs

Info

ID:	33393
PubChem CID:	7886233
Reduced:	OS2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	406.098728
ΔH_f, kcal/mol:	42.56
Dipole, Da:	4.67
IP(EA), eV:	-8.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)CSC3=NC=NC4=C3C5=C(S4)CCCC5)C=C1

DOS

IR

Vibrations