Geometry & MOs

Info

ID:	43489
PubChem CID:	10321381
Reduced:	S2N5O8C14H17 (1)
Stoich.:	A2B5C8D14E17 (1)
Weight, g/mol:	447.100125
ΔH_f, kcal/mol:	-62.1
Dipole, Da:	4.76
IP(EA), eV:	-9.44(-2.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-4-oxo-N-phenyl-1-phenyldiazenylcinnoline-6-sulfonamide

Drug info:

PubChemData

Smile

CCOC(N1CCN(CC1)C=O)(S)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations