Geometry & MOs

Info

ID:	400805
PubChem CID:	135049147
Reduced:	BClNO3C16H29 (1)
Stoich.:	ABCD3E16F29 (1)
Weight, g/mol:	409.282196
ΔH_f, kcal/mol:	-204.54
Dipole, Da:	4.79
IP(EA), eV:	-9.02(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibutyl-[(Z)-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]but-1-enoxy]borane

Drug info:

PubChemData

Smile

B(CCCC)(CCCC)O/C(=C\Cl)/N1[C@H](COC1=O)C(C)C

DOS

IR

Vibrations