Geometry & MOs

Info

ID:	184863
PubChem CID:	77221434
Reduced:	O3N6C32H34 (1)
Stoich.:	A3B6C32D34 (1)
Weight, g/mol:	483.203922
ΔH_f, kcal/mol:	-25.62
Dipole, Da:	3.36
IP(EA), eV:	-8.83(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-(hydroxymethyl)-5-(4-methylsulfonylphenyl)-6-oxodiazinan-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C2=CN=C(C=C2)C(=O)N3CC4CC3CN4C(=O)C(C(C)(C)C)NC(=O)C5=CC6=CC=CC=C6N5

DOS

IR

Vibrations