Geometry & MOs

Info

ID:	378453
PubChem CID:	134224535
Reduced:	N2O6C11H18 (1)
Stoich.:	A2B6C11D18 (1)
Weight, g/mol:	419.098287
ΔH_f, kcal/mol:	-265.96
Dipole, Da:	2.86
IP(EA), eV:	-9.71(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-fluoro-4-[(1S)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxyphenyl]sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CN(CC(=O)N2C1[C@@H]([C@H]([C@@H]2CO)O)O)CC(=O)O

DOS

IR

Vibrations