Geometry & MOs

Info

ID:	400859
PubChem CID:	135049294
Reduced:	SCl2N2O5H22C23 (1)
Stoich.:	AB2C2D5E22F23 (1)
Weight, g/mol:	494.310584
ΔH_f, kcal/mol:	-145.26
Dipole, Da:	6.87
IP(EA), eV:	-9.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(9-borabicyclo[3.3.1]nonan-9-yl)hex-2-enyl]-tributylstannane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)/C(=C(/CCl)\Cl)/N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)S

DOS

IR

Vibrations