Geometry & MOs

Info

ID:	190530
PubChem CID:	78016421
Reduced:	SO3N6C21H24 (1)
Stoich.:	AB3C6D21E24 (1)
Weight, g/mol:	543.205259
ΔH_f, kcal/mol:	-18.7
Dipole, Da:	0.3
IP(EA), eV:	-8.69(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[[3-[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]phenyl]methyl]propanehydrazide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(S1)C(=NC(=N2)C3=C4C=NNC4=CC=C3)N5CCOCC5)(NCCO)O

DOS

IR

Vibrations