Geometry & MOs

Info

ID:	284926
PubChem CID:	104084247
Reduced:	ClN2S2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	222.084514
ΔH_f, kcal/mol:	39.14
Dipole, Da:	5.13
IP(EA), eV:	-8.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropropylsulfanyl)-3-methoxycyclohexane

Drug info:

PubChemData

Smile

C1=CSC2=NC(=CN21)CSCCCCl

DOS

IR

Vibrations