Geometry & MOs

Info

ID:	10359
PubChem CID:	101039
Reduced:	S2N4O9C24H26 (1)
Stoich.:	A2B4C9D24E26 (1)
Weight, g/mol:	578.114121
ΔH_f, kcal/mol:	-295.59
Dipole, Da:	6.98
IP(EA), eV:	-8.43(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-hydroxy-5-[[4-[(4-methylcyclohexyl)oxycarbonylamino]-2-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC(=O)NC2=CC(=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)N)S(=O)(=O)O

DOS

IR

Vibrations