Geometry & MOs

Info

ID:	400691
PubChem CID:	135048773
Reduced:	BClLiO3C17H23 (1)
Stoich.:	ABCD3E17F23 (1)
Weight, g/mol:	570.18183
ΔH_f, kcal/mol:	-131.83
Dipole, Da:	12.99
IP(EA), eV:	-8.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-diphenyl-2-prop-2-enyl-1,3,2-diazaborolidine

Drug info:

PubChemData

Smile

[Li+].[B-]1(OCCCO1)(C#CCCCCl)[C@H]2CCC[C@@H]2C3=CC=CO3

DOS

IR

Vibrations