Geometry & MOs

Info

ID:	299678
PubChem CID:	117688512
Reduced:	SO7N9C31H33 (1)
Stoich.:	AB7C9D31E33 (1)
Weight, g/mol:	457.178376
ΔH_f, kcal/mol:	23.3
Dipole, Da:	9.37
IP(EA), eV:	-8.86(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-2-methylphenyl]diazenyl]-3-methylthiophene-2,4-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N=NC2=C(C(=C(S2)C#N)C)C#N)N=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)N(CCOCCO)CCOCCOCCO

DOS

IR

Vibrations