Geometry & MOs

Info

ID:	251256
PubChem CID:	103102500
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	246.078662
ΔH_f, kcal/mol:	-92.3
Dipole, Da:	2.97
IP(EA), eV:	-8.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-amino-2-oxoethyl)-N-(2-amino-2-sulfanylideneethyl)-N'-ethyloxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)COC1=CC=C(C=C1)C(=S)N

DOS

IR

Vibrations