Geometry & MOs

Info

ID:	385446
PubChem CID:	134979109
Reduced:	BClOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	204.118401
ΔH_f, kcal/mol:	-91.4
Dipole, Da:	1.09
IP(EA), eV:	-9.52(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-tert-butyl (3S)-3-hydroxyhexanethioate

Drug info:

PubChemData

Smile

B(C1=CC=CC=C1)(O/C(=C\C)/CC)Cl

DOS

IR

Vibrations