Geometry & MOs

Info

ID:	204235
PubChem CID:	79934145
Reduced:	BrN2S2O5C9H11 (1)
Stoich.:	AB2C2D5E9F11 (1)
Weight, g/mol:	242.235814
ΔH_f, kcal/mol:	-171.31
Dipole, Da:	6.04
IP(EA), eV:	-9.91(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[ethyl(propyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NCC(=O)NCC(=O)O)Br

DOS

IR

Vibrations