Geometry & MOs

Info

ID:	211906
PubChem CID:	81058790
Reduced:	BrNS2O5C10H14 (1)
Stoich.:	ABC2D5E10F14 (1)
Weight, g/mol:	232.160935
ΔH_f, kcal/mol:	-175.05
Dipole, Da:	10.57
IP(EA), eV:	-9.1(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-(2-ethoxyethyl)-N,5-dimethylthiolan-3-amine

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=C(SC(=C1)C(=O)O)Br

DOS

IR

Vibrations