Geometry & MOs

Info

ID:	296676
PubChem CID:	117588142
Reduced:	SO3N5H11C17 (1)
Stoich.:	AB3C5D11E17 (1)
Weight, g/mol:	298.096331
ΔH_f, kcal/mol:	24.91
Dipole, Da:	5.93
IP(EA), eV:	-9.34(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis[2-(2-chloroethylamino)ethyl]oxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)N/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=NC=C4)S2

DOS

IR

Vibrations