Geometry & MOs

Info

ID:	19924
PubChem CID:	575150
Reduced:	BOSC8H15 (1)
Stoich.:	ABCD8E15 (1)
Weight, g/mol:	170.093666
ΔH_f, kcal/mol:	-118.3
Dipole, Da:	2.4
IP(EA), eV:	-8.9(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]oxathiaborole

Drug info:

PubChemData

Smile

B1(OC2CCCCC2S1)CC

DOS

IR

Vibrations