Geometry & MOs

Info

ID:	11243
PubChem CID:	112387
Reduced:	SN5O5H25C27 (1)
Stoich.:	AB5C5D25E27 (1)
Weight, g/mol:	531.15764
ΔH_f, kcal/mol:	-31.04
Dipole, Da:	6.04
IP(EA), eV:	-9.09(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-hydroxy-5-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]sulfonyl-methylamino]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCN(C)S(=O)(=O)C1=CC2=C(C=C1)C(=C(C=C2)O)N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4

DOS

IR

Vibrations