Geometry & MOs

Info

ID:	147483
PubChem CID:	53787139
Reduced:	SN2O8C33H48 (1)
Stoich.:	AB2C8D33E48 (1)
Weight, g/mol:	458.170253
ΔH_f, kcal/mol:	-371.67
Dipole, Da:	6.77
IP(EA), eV:	-8.43(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

dicyano-[3-[2-[3-[dicyano(ethyl)azaniumyl]carbonylphenoxy]ethoxy]benzoyl]-ethylazanium

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC(=O)OCC)C(=O)C1=CC(=CC(=C1O)C(C)C)NS(=O)(=O)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations