Geometry & MOs

Info

ID:	10758
PubChem CID:	107725
Reduced:	SN5O10C25H29 (1)
Stoich.:	AB5C10D25E29 (1)
Weight, g/mol:	591.163513
ΔH_f, kcal/mol:	-300.12
Dipole, Da:	6.49
IP(EA), eV:	-9.17(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid;(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(methylamino)hexanal

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O.C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O.C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):