Geometry & MOs

Info

ID:	352228
PubChem CID:	127283310
Reduced:	O3N6C20H24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	367.167811
ΔH_f, kcal/mol:	-57.67
Dipole, Da:	2.78
IP(EA), eV:	-8.82(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1)N2CCN(CC2)C(=O)NC3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations