Geometry & MOs

Info

ID:	83207
PubChem CID:	49857282
Reduced:	ClFSN6H16C17 (1)
Stoich.:	ABCD6E16F17 (1)
Weight, g/mol:	472.190213
ΔH_f, kcal/mol:	57.82
Dipole, Da:	3.9
IP(EA), eV:	-8.85(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[[4-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CSC1=NC=CC(=N1)NCC2=CC=C(C=C2)CNC3=NC(=NC=C3F)Cl

DOS

IR

Vibrations