Geometry & MOs

Info

ID:	447200
PubChem CID:	135281115
Reduced:	N7H17C23 (1)
Stoich.:	A7B17C23 (1)
Weight, g/mol:	460.142993
ΔH_f, kcal/mol:	171.83
Dipole, Da:	3.05
IP(EA), eV:	-8.64(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1R)-1-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=NC=C3C=C(C=CC3=N2)C4=C5C(=CNC5=NC=N4)C#N

DOS

IR

Vibrations