Geometry & MOs

Info

ID:	355645
PubChem CID:	127289403
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	355.167811
ΔH_f, kcal/mol:	25.26
Dipole, Da:	7.85
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C2C(=C(SC2=NC=C1)C(=O)N3CCN(CC3)CC4=NC=CN4C)C

DOS

IR

Vibrations