Geometry & MOs

Info

ID:	82378
PubChem CID:	49855960
Reduced:	BN2O6C20H33 (1)
Stoich.:	AB2C6D20E33 (1)
Weight, g/mol:	336.146366
ΔH_f, kcal/mol:	-364.09
Dipole, Da:	2.69
IP(EA), eV:	-9.04(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,8S)-4-[(1S)-1-chloro-2-(2-fluorophenyl)ethyl]-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Drug info:

PubChemData

Smile

B([C@H](CC(C)C)NC(=O)CC(C1=CC(=CC=C1)OC)NC(=O)OC(C)(C)C)(O)O

DOS

IR

Vibrations