Geometry & MOs

Info

ID:	233486
PubChem CID:	90944846
Reduced:	NO2S2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	503.29212
ΔH_f, kcal/mol:	-5.22
Dipole, Da:	5.69
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-fluoro-4-(1H-pyrrol-2-ylmethylamino)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)S(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations