Geometry & MOs

Info

ID:	369802
PubChem CID:	127335753
Reduced:	FSO3N4C16H25 (1)
Stoich.:	ABC3D4E16F25 (1)
Weight, g/mol:	368.188212
ΔH_f, kcal/mol:	-163.63
Dipole, Da:	3.67
IP(EA), eV:	-9.14(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-6-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C)NC2CCN(CC2)S(=O)(=O)C3CCOCC3)F

DOS

IR

Vibrations