Geometry & MOs

Info

ID:	179411
PubChem CID:	76478570
Reduced:	P3C7O16H19 (1)
Stoich.:	A3B7C16D19 (1)
Weight, g/mol:	246.201737
ΔH_f, kcal/mol:	-927.42
Dipole, Da:	4.16
IP(EA), eV:	-11.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butylsulfanyl-3,6-dimethyloctan-4-ol

Drug info:

PubChemData

Smile

C(C(C(C(C(C(COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O)O)O

DOS

IR

Vibrations