Geometry & MOs

Info

ID:	349895
PubChem CID:	127276700
Reduced:	BrNSO4C13H16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	383.187878
ΔH_f, kcal/mol:	-133.63
Dipole, Da:	7.56
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylcarbamoyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1CC2=CC3=C(C=C2Br)OCCO3

DOS

IR

Vibrations