Geometry & MOs

Info

ID:	298510
PubChem CID:	117650450
Reduced:	S2F3O4H17C22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	606.120269
ΔH_f, kcal/mol:	-243.27
Dipole, Da:	6.18
IP(EA), eV:	-9.34(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-5-[(2-ethoxycarbonylphenyl)diazenyl]-3-[[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)SC(=O)C(=C)C)C(F)(F)F

DOS

IR

Vibrations