Geometry & MOs

Info

ID:	345653
PubChem CID:	127269953
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	1.56
Dipole, Da:	5.18
IP(EA), eV:	-8.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NC2=NC(=CS2)C3=CC=CC=N3

DOS

IR

Vibrations