Geometry & MOs

Info

ID:	159044
PubChem CID:	57244633
Reduced:	OSCl2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	322.217781
ΔH_f, kcal/mol:	-29.22
Dipole, Da:	1.88
IP(EA), eV:	-9.73(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadecan-6-yl hydrogen sulfate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSC(=O)Cl)Cl

DOS

IR

Vibrations