Geometry & MOs

Info

ID:	184618
PubChem CID:	77183964
Reduced:	FSN2O3C9H9 (1)
Stoich.:	ABC2D3E9F9 (1)
Weight, g/mol:	366.257754
ΔH_f, kcal/mol:	-103.33
Dipole, Da:	2.7
IP(EA), eV:	-9.42(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-hydroxy-6-(6,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)hexanoate

Drug info:

PubChemData

Smile

C1=CSC(=C1F)C(=O)CC(=O)OCC=NN

DOS

IR

Vibrations