Geometry & MOs

Info

ID:	425834
PubChem CID:	135128229
Reduced:	OS2N5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	389.134403
ΔH_f, kcal/mol:	34.35
Dipole, Da:	5.82
IP(EA), eV:	-8.54(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(dimethylamino)cyclohexyl]oxy-N-(3-methyl-1,2-thiazol-5-yl)thieno[3,2-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NSC(=C1)NC2=NC3=C(C(=N2)N[C@H]4CC[C@@H](C4)O)SC=C3

DOS

IR

Vibrations