Geometry & MOs

Info

ID:	368839
PubChem CID:	127330668
Reduced:	SN6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	388.150387
ΔH_f, kcal/mol:	56.85
Dipole, Da:	3.94
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-4-[(5-piperidin-4-yl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NC=N1)SC2=NN=C(N2C(C)C)C3CCNCC3

DOS

IR

Vibrations