Geometry & MOs

Info

ID:	400890
PubChem CID:	135049349
Reduced:	BOSC28H53 (1)
Stoich.:	ABCD28E53 (1)
Weight, g/mol:	482.352045
ΔH_f, kcal/mol:	-177.77
Dipole, Da:	2.81
IP(EA), eV:	-8.8(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-tert-butylsulfanyl-2-chloroethenoxy]-bis[[(1S,2S,5R)-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)OC(=C)SC(C)(C)C

DOS

IR

Vibrations