Geometry & MOs

Info

ID:	296892
PubChem CID:	117599398
Reduced:	ClN2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	199.999943
ΔH_f, kcal/mol:	23.04
Dipole, Da:	5.59
IP(EA), eV:	-8.04(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5,5-tris(sulfanyl)pentane-1,4-diol

Drug info:

PubChemData

Smile

CCNC1=CC=C(C=C1)CN(CC)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations