Geometry & MOs

Info

ID:	83206
PubChem CID:	49857281
Reduced:	O4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	390.082972
ΔH_f, kcal/mol:	-158.58
Dipole, Da:	7.37
IP(EA), eV:	-9.32(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-N-[[4-[[(2-methylsulfanylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CCC3(C2=C4C=C(C(=O)C=C4O3)O)O)(C)C

DOS

IR

Vibrations