Geometry & MOs

Info

ID:	160395
PubChem CID:	57309743
Reduced:	S2N3O5C35H63 (1)
Stoich.:	A2B3C5D35E63 (1)
Weight, g/mol:	242.066277
ΔH_f, kcal/mol:	-240.34
Dipole, Da:	4.98
IP(EA), eV:	-8.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-5-(5-chloropentylsulfanyl)pentane

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCC(CS(=O)CCOCCN1CSC(=C1C)CCO)OC2=NC=CC=N2

DOS

IR

Vibrations