Geometry & MOs

Info

ID:	322112
PubChem CID:	126668692
Reduced:	FSN4O4C27H27 (1)
Stoich.:	ABC4D4E27F27 (1)
Weight, g/mol:	256.099397
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	6.7
IP(EA), eV:	-9.15(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC(=C(C=C1)[C@H]2CCOC3=C2C=CC(=C3)S(=O)(=O)NC4=NC(=CC=C4)F)C5=CC=NN5C

DOS

IR

Vibrations