Geometry & MOs

Info

ID:	84454
PubChem CID:	49866478
Reduced:	S3N4O6C22H24 (1)
Stoich.:	A3B4C6D22E24 (1)
Weight, g/mol:	415.165782
ΔH_f, kcal/mol:	-170.37
Dipole, Da:	3.63
IP(EA), eV:	-8.74(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[9-(2-carboxy-4-formylphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)/C(=C/2\CS(=O)(=O)C3=C(N2)C=CC(=C3)NS(=O)(=O)C)/C(=O)C(=N1)C4=CC=CS4

DOS

IR

Vibrations