Geometry & MOs

Info

ID:	378373
PubChem CID:	134224452
Reduced:	O2N7C31H39 (1)
Stoich.:	A2B7C31D39 (1)
Weight, g/mol:	516.259737
ΔH_f, kcal/mol:	1.26
Dipole, Da:	1.24
IP(EA), eV:	-8.86(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-5-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-5-hydroxypentanamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)NC1CCCC(C1)CN2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)NC

DOS

IR

Vibrations