Geometry & MOs

Info

ID:	190864
PubChem CID:	78070086
Reduced:	NSiO2C19H30 (1)
Stoich.:	ABC2D19E30 (1)
Weight, g/mol:	617.126637
ΔH_f, kcal/mol:	-88.93
Dipole, Da:	3.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753414
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-[bis(4-amino-3,5-dimethylphenyl)methylidene]-6-(4-hydroxy-2-sulfobenzene-3-id-1-yl)azaniumylidenecyclohexa-1,4-diene-1-sulfonate

Drug info:

PubChemData

Smile

CC(C)(C)C(C1CN(CCC1=O)CC2=CC=CC=C2)O[Si](C)C

DOS

IR

Vibrations