Geometry & MOs

Info

ID:	34037
PubChem CID:	7889527
Reduced:	OS2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	401.03264
ΔH_f, kcal/mol:	37.8
Dipole, Da:	5.73
IP(EA), eV:	-9.21(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CN(C(=O)CSC1=NC=NC2=C1C=CS2)C3(CCCCC3)C#N

DOS

IR

Vibrations