Geometry & MOs

Info

ID:	400877
PubChem CID:	135049314
Reduced:	BOC26H45 (1)
Stoich.:	ABC26D45 (1)
Weight, g/mol:	490.437968
ΔH_f, kcal/mol:	-127.8
Dipole, Da:	0.97
IP(EA), eV:	-9.15(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylpentan-3-ylsulfanyl)ethenoxy-bis[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methyl]borane

Drug info:

PubChemData

Smile

B(CCCCCC)(CCCCCC)O/C(=C/CCCCCC)/C1=CC=CC=C1

DOS

IR

Vibrations