Geometry & MOs

Info

ID:	204899
PubChem CID:	80027559
Reduced:	OSC14H30 (1)
Stoich.:	ABC14D30 (1)
Weight, g/mol:	317.048857
ΔH_f, kcal/mol:	-103.34
Dipole, Da:	2.43
IP(EA), eV:	-8.98(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-chloro-2-nitrophenoxy)methyl]oxan-4-yl]methanethiol

Drug info:

PubChemData

Smile

CCCCCCCCOCCCCCCS

DOS

IR

Vibrations