Geometry & MOs

Info

ID:	425372
PubChem CID:	135126080
Reduced:	ClON3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	202.012222
ΔH_f, kcal/mol:	15.76
Dipole, Da:	5.11
IP(EA), eV:	-8.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-bis(sulfanylmethyl)benzene-1,2-diol

Drug info:

PubChemData

Smile

C1CC2(CCNCC2)OC3=C1C=C(C=C3)C4=C(N5C=CN=C5C=C4)Cl

DOS

IR

Vibrations