Geometry & MOs

Info

ID:	398631
PubChem CID:	135034446
Reduced:	N2S2O6C29H30 (2)
Stoich.:	A2B2C6D29E30 (2)
Weight, g/mol:	434.029135
ΔH_f, kcal/mol:	-316.33
Dipole, Da:	5.71
IP(EA), eV:	-9.28(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(2-methylsulfanylphenyl)thieno[2,3-f][1]benzothiole

Drug info:

Smile

CCOC(=O)C(=C)C1=CCN(C2=CC=CC=C2CN(/C(=C\CN(C3=CC=CC=C3CN1S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C)/C(=C)C(=O)OCC)S(=O)(=O)C6=CC=C(C=C6)C)S(=O)(=O)C7=CC=C(C=C7)C

DOS

IR

Vibrations