Geometry & MOs

Info

ID:	227429
PubChem CID:	87561739
Reduced:	ClNNaSO3C4H4 (1)
Stoich.:	ABCDE3F4G4 (1)
Weight, g/mol:	506.200858
ΔH_f, kcal/mol:	-151.92
Dipole, Da:	7.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756275
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-morpholin-4-ylphenyl)-4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CNC(=C1S(=O)(=O)O)Cl.[Na]

DOS

IR

Vibrations