Geometry & MOs

Info

ID:	54776
PubChem CID:	17389249
Reduced:	SO3N7H19C20 (1)
Stoich.:	AB3C7D19E20 (1)
Weight, g/mol:	328.283826
ΔH_f, kcal/mol:	127.78
Dipole, Da:	8.07
IP(EA), eV:	-8.79(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;N"-[(E)-1-cyclododecylethylideneamino]methanetriamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)C2=CC=C(O2)/C=N/N3C(=S)NN=C3N4C(=CC(=N4)C)C

DOS

IR

Vibrations