Geometry & MOs

Info

ID:	175803
PubChem CID:	75949748
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	242.150467
ΔH_f, kcal/mol:	-48.64
Dipole, Da:	4.63
IP(EA), eV:	-8.87(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[2-(2-methoxyethylamino)-3,4-dioxocyclobutylidene]amino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

COC1C=NC(=CC1=O)C(=O)NC2=NC3=C(S2)CCCCC3

DOS

IR

Vibrations