Geometry & MOs

Info

ID:	369801
PubChem CID:	127335752
Reduced:	SO3N4C14H22 (1)
Stoich.:	AB3C4D14E22 (1)
Weight, g/mol:	372.16314
ΔH_f, kcal/mol:	-95.27
Dipole, Da:	4.56
IP(EA), eV:	-9.14(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2,6-dimethyl-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=NC=CC=N2)S(=O)(=O)C3CCOCC3

DOS

IR

Vibrations