Geometry & MOs

Info

ID:	210644
PubChem CID:	80833711
Reduced:	BrO2S2N4C12H19 (1)
Stoich.:	AB2C2D4E12F19 (1)
Weight, g/mol:	332.108916
ΔH_f, kcal/mol:	-46.71
Dipole, Da:	6.39
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-ethylsulfonylthiomorpholin-4-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)N2CCSCC2S(=O)(=O)CC)Br

DOS

IR

Vibrations