Geometry & MOs

Info

ID:	400885
PubChem CID:	135049339
Reduced:	BOC29H51 (1)
Stoich.:	ABC29D51 (1)
Weight, g/mol:	936.136847
ΔH_f, kcal/mol:	-144.64
Dipole, Da:	1.41
IP(EA), eV:	-9.29(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-1,3-bis[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-4,5-diphenyl-2-[(Z)-1-phenylmethoxyprop-1-enoxy]-1,3,2-diazaborolidine

Drug info:

PubChemData

Smile

B(CCCCCCC)(CCCCCCC)O/C(=C/CCCCCCC)/C1=CC=CC=C1

DOS

IR

Vibrations