Geometry & MOs

Info

ID:	444620
PubChem CID:	135263032
Reduced:	FO3N6C25H31 (1)
Stoich.:	AB3C6D25E31 (1)
Weight, g/mol:	537.240976
ΔH_f, kcal/mol:	-80.09
Dipole, Da:	2.21
IP(EA), eV:	-8.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-N-[(5-methylfuran-2-yl)-(5-methyl-2-piperidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCC(C(C1)F)C2=CC3=C(C=C2C)C=NN3C4=CC(=NC(=N4)OC)N5CCC5

DOS

IR

Vibrations