Geometry & MOs

Info

ID:	364389
PubChem CID:	127315566
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-41.39
Dipole, Da:	6.5
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCC(CC3)OCCN(C)C)NN=C2

DOS

IR

Vibrations