Geometry & MOs

Info

ID:	432973
PubChem CID:	135173110
Reduced:	SO4N5C12H13 (1)
Stoich.:	AB4C5D12E13 (1)
Weight, g/mol:	650.147135
ΔH_f, kcal/mol:	-65.18
Dipole, Da:	6.85
IP(EA), eV:	-9.06(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetylphenyl) 2-hydroxy-4-[2-oxo-2-[(3E)-6-oxo-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-dien-1-yl]ethyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=O)C=CC1=CNNC(=O)CSC2=NNC(NC2=O)O

DOS

IR

Vibrations