Geometry & MOs

Info

ID:	400889
PubChem CID:	135049347
Reduced:	BSO2C35H59 (1)
Stoich.:	ABC2D35E59 (1)
Weight, g/mol:	448.391018
ΔH_f, kcal/mol:	-192.39
Dipole, Da:	2.57
IP(EA), eV:	-8.32(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butylsulfanylethenoxy-bis[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]methyl]borane

Drug info:

PubChemData

Smile

B(C[C@H]1C[C@@H](CC[C@H]1C(C)C)C)(C[C@H]2C[C@@H](CC[C@H]2C(C)C)C)O/C(=C/OCC3=CC=CC=C3)/SC(C)(C)C

DOS

IR

Vibrations