Geometry & MOs

Info

ID:	409683
PubChem CID:	135082466
Reduced:	BClNO2C20H33 (1)
Stoich.:	ABCD2E20F33 (1)
Weight, g/mol:	351.213637
ΔH_f, kcal/mol:	-199.56
Dipole, Da:	7.09
IP(EA), eV:	-10.22(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-chloro-4-[(4R,5R)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]-2-methylbutanenitrile

Drug info:

PubChemData

Smile

B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)[C@@H]([C@H](C)CCC#N)Cl

DOS

IR

Vibrations