Geometry & MOs

Info

ID:	425838
PubChem CID:	135128240
Reduced:	OSN7C20H21 (1)
Stoich.:	ABC7D20E21 (1)
Weight, g/mol:	391.157915
ΔH_f, kcal/mol:	80.09
Dipole, Da:	1.45
IP(EA), eV:	-8.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclohexyl-2-N-(1-pyridin-3-ylpyrazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CC(CCC1NC2=NC(=NC3=C2SC=C3)NC4=CN(N=C4)C5=CN=CC=C5)O

DOS

IR

Vibrations