Geometry & MOs

Info

ID:	400806
PubChem CID:	135049149
Reduced:	BNSO3C22H40 (1)
Stoich.:	ABCD3E22F40 (1)
Weight, g/mol:	464.382561
ΔH_f, kcal/mol:	-217.01
Dipole, Da:	8.51
IP(EA), eV:	-8.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dicyclohexyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxyprop-1-enoxy]borane

Drug info:

PubChemData

Smile

B(CCCC)(CCCC)O/C(=C\CC)/N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O

DOS

IR

Vibrations