Geometry & MOs

Info

ID:	225735
PubChem CID:	87225408
Reduced:	SN6O10C29H34 (1)
Stoich.:	AB6C10D29E34 (1)
Weight, g/mol:	128.058578
ΔH_f, kcal/mol:	-342.16
Dipole, Da:	10.97
IP(EA), eV:	-8.37(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-diazenylpentane-2,4-dione

Drug info:

PubChemData

Smile

CN(C[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)C(=O)CC1=C/C(=C/2\NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=C(C=CC(=C4)S(=O)(=O)N)O

DOS

IR

Vibrations