Geometry & MOs

Info

ID:	298356
PubChem CID:	117648585
Reduced:	F2O4N6C27H30 (1)
Stoich.:	A2B4C6D27E30 (1)
Weight, g/mol:	468.157974
ΔH_f, kcal/mol:	-184.4
Dipole, Da:	6.83
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-5-[(5-ethyl-2-methoxyphenyl)diazenyl]-3-[(3-methylphenyl)diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1F)NC2=C(C=C(C(=N2)NC3=CC(=NC(=C3)OC)OC)C#N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations