Geometry & MOs

Info

ID:	127191
PubChem CID:	50993869
Reduced:	SiN2O2C36H42 (1)
Stoich.:	AB2C2D36E42 (1)
Weight, g/mol:	563.141941
ΔH_f, kcal/mol:	-28.52
Dipole, Da:	8.04
IP(EA), eV:	-8.3(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C=CC=C21)C3=CC(=CC(=C3)C4=CN=CC=C4)OCC5=CC=C(C=C5)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C=CC=C21)C3=CC(=CC(=C3)C4=CN=CC=C4)OCC5=CC=C(C=C5)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):