Geometry & MOs

Info

ID:	246232
PubChem CID:	103051112
Reduced:	ClFO2S2N3H11C12 (1)
Stoich.:	ABC2D2E3F11G12 (1)
Weight, g/mol:	228.220164
ΔH_f, kcal/mol:	-55.94
Dipole, Da:	5.18
IP(EA), eV:	-8.99(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[[methyl(2-methylpropyl)amino]methyl]oxan-4-amine

Drug info:

PubChemData

Smile

C1CC1C2=CSC(=N2)NS(=O)(=O)C3=CC(=CC(=C3F)N)Cl

DOS

IR

Vibrations