Geometry & MOs

Info

ID:	446325
PubChem CID:	135274081
Reduced:	O2C17H30 (1)
Stoich.:	A2B17C30 (1)
Weight, g/mol:	908.348872
ΔH_f, kcal/mol:	-121.87
Dipole, Da:	2.38
IP(EA), eV:	-9.56(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-sulfophenyl)-6-[2,4,6-trimethyl-3-(4-methylpentanoylamino)anilino]-3-[2,4,6-trimethyl-3-(4-methylpentanoylamino)phenyl]iminoxanthene-2-sulfonic acid

Drug info:

PubChemData

Smile

CC/C=C/CCC(C)(C)CCC/C=C/COC(=O)C

DOS

IR

Vibrations