Geometry & MOs

Info

ID:	231777
PubChem CID:	87574644
Reduced:	BrSO2N4H9C14 (1)
Stoich.:	ABC2D4E9F14 (1)
Weight, g/mol:	219.134482
ΔH_f, kcal/mol:	38.21
Dipole, Da:	6.16
IP(EA), eV:	-9.34(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(dimethylamino)acetate;2-(trimethylazaniumyl)acetate

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N(N=C(C2=S)C(=O)O)CC3=CN=C(C=C3)Br

DOS

IR

Vibrations