Geometry & MOs

Info

ID:	365188
PubChem CID:	127317005
Reduced:	SO2N6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-2.56
Dipole, Da:	4.29
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations