Geometry & MOs

Info

ID:	378427
PubChem CID:	134224508
Reduced:	O2C25H44 (1)
Stoich.:	A2B25C44 (1)
Weight, g/mol:	608.322337
ΔH_f, kcal/mol:	-151.68
Dipole, Da:	2.47
IP(EA), eV:	-9.31(2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclohexyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)-2-(methylamino)acetamide

Drug info:

PubChemData

Smile

CCOCC1(CC2CCCC(C1)C2CCOCC3CC4CCCC(C4)C3)C

DOS

IR

Vibrations