Geometry & MOs

Info

ID:	409781
PubChem CID:	135082566
Reduced:	BClNSnC27H33 (1)
Stoich.:	ABCDE27F33 (1)
Weight, g/mol:	452.252275
ΔH_f, kcal/mol:	76.89
Dipole, Da:	17.62
IP(EA), eV:	-6.15(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-2,9,9-trimethyl-4-(trityloxymethyl)-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Drug info:

PubChemData

Smile

[B](N1C(CCCC1(C)C)(C)C)Cl.C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations