Geometry & MOs

Info

ID:	316025
PubChem CID:	126629685
Reduced:	ClFSO2N4C8H10 (1)
Stoich.:	ABCD2E4F8G10 (1)
Weight, g/mol:	608.266001
ΔH_f, kcal/mol:	-71.74
Dipole, Da:	6.27
IP(EA), eV:	-9.67(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[5-chloro-4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)NC2=NC(=NC=C2F)Cl

DOS

IR

Vibrations