Geometry & MOs

Info

ID:	409680
PubChem CID:	135082463
Reduced:	BNO2Si2C13H30 (1)
Stoich.:	ABC2D2E13F30 (1)
Weight, g/mol:	337.197987
ΔH_f, kcal/mol:	-261.65
Dipole, Da:	3.11
IP(EA), eV:	-8.48(1.44)
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]butanenitrile

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)CN2[Si](CC[Si]2(C)C)(C)C

DOS

IR

Vibrations