Geometry & MOs

Info

ID:	393057
PubChem CID:	135019172
Reduced:	BrOSC10H17 (1)
Stoich.:	ABCD10E17 (1)
Weight, g/mol:	242.092101
ΔH_f, kcal/mol:	-67.4
Dipole, Da:	1.82
IP(EA), eV:	-9.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R,6R)-7-chloro-4-(methoxymethoxy)heptane-1,5,6-triol

Drug info:

PubChemData

Smile

CC(C)(C)SC(=O)/C=C/CCCBr

DOS

IR

Vibrations