Geometry & MOs

Info

ID:	14215
PubChem CID:	406690
Reduced:	S2N5H11C12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	289.045588
ΔH_f, kcal/mol:	127.23
Dipole, Da:	4.58
IP(EA), eV:	-8.81(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-thiophen-2-ylmethanimine

Drug info:

PubChemData

Smile

CCSC1=NC2=C(C=NN2)C(=N1)N=CC3=CC=CS3

DOS

IR

Vibrations