Geometry & MOs

Info

ID:	352748
PubChem CID:	127283837
Reduced:	O2S2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	310.098728
ΔH_f, kcal/mol:	-29.95
Dipole, Da:	4.02
IP(EA), eV:	-8.49(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-(1-oxo-1,4-thiazinan-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CN4CCS(=O)CC4

DOS

IR

Vibrations