Geometry & MOs

Info

ID:	447092
PubChem CID:	135280243
Reduced:	IO6C17H21 (1)
Stoich.:	AB6C17D21 (1)
Weight, g/mol:	894.333222
ΔH_f, kcal/mol:	-232.46
Dipole, Da:	3.46
IP(EA), eV:	-9.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OC2C(O1)[C@](OC2OC)(COC(=O)C3=CC=CC=C3)CI)C

DOS

IR

Vibrations