Geometry & MOs

Info

ID:	246865
PubChem CID:	103065211
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	240.115716
ΔH_f, kcal/mol:	-12.83
Dipole, Da:	5.36
IP(EA), eV:	-8.5(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=CC=C1)NC2CCSC2)[N+](=O)[O-]

DOS

IR

Vibrations