Geometry & MOs

Info

ID:	427333
PubChem CID:	135157245
Reduced:	SN4O4C27H33 (1)
Stoich.:	AB4C4D27E33 (1)
Weight, g/mol:	373.131408
ΔH_f, kcal/mol:	-72.33
Dipole, Da:	1.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.262126
Charge, e:	0

Chem-info

IUPAC name:

2-(3-dimethylazaniumylidene-6-methoxyxanthen-9-yl)benzoate

Drug info:

PubChemData

Smile

CCCCN(C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CCCC)N)C=C3O2)C4=CC=CC=C4S(=O)(=O)O)N

DOS

IR

Vibrations