Geometry & MOs

Info

ID:	210999
PubChem CID:	80882025
Reduced:	S2N8C11H18 (1)
Stoich.:	A2B8C11D18 (1)
Weight, g/mol:	383.99709
ΔH_f, kcal/mol:	107.65
Dipole, Da:	2.41
IP(EA), eV:	-8.37(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(3-iodophenoxy)-2-nitroaniline

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SC2=NN=C(S2)N(C)C)N(C)C

DOS

IR

Vibrations