Geometry & MOs

Info

ID:	306257
PubChem CID:	125003353
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	457.214761
ΔH_f, kcal/mol:	-57.47
Dipole, Da:	5.24
IP(EA), eV:	-8.95(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,1-dioxothiazinan-2-yl)phenyl]-[(3R)-3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N2CCC[C@@H]2C3=CC=CC(=N3)CNC(=O)C

DOS

IR

Vibrations