Geometry & MOs

Info

ID:	446922
PubChem CID:	135278816
Reduced:	FSN2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	510.295454
ΔH_f, kcal/mol:	-34.04
Dipole, Da:	8.58
IP(EA), eV:	-8.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-4-[6-[2-methanimidoyl-4-methyl-5-[2-methyl-1-(oxetan-3-yl)piperidin-4-yl]anilino]-2-methoxypyrimidin-4-yl]morpholin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CN=C2N1O)C3=C(C=CC(=C3)S(=O)(=O)C4CC4)F

DOS

IR

Vibrations