Geometry & MOs

Info

ID:	69845
PubChem CID:	47205535
Reduced:	BrN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	305.140927
ΔH_f, kcal/mol:	-80.2
Dipole, Da:	6.04
IP(EA), eV:	-9.05(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]amino]-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NC1=CC(=CC=C1)Br

DOS

IR

Vibrations