Geometry & MOs

Info

ID:	218554
PubChem CID:	85089614
Reduced:	ON7C28H33 (1)
Stoich.:	AB7C28D33 (1)
Weight, g/mol:	479.191249
ΔH_f, kcal/mol:	120.42
Dipole, Da:	6.77
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[bis(3-methylbutyl)amino]-(2-nitrophenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4)OCCC5=CC=CC=C5

DOS

IR

Vibrations