Geometry & MOs

Info

ID:	400657
PubChem CID:	135048645
Reduced:	BClPH15C18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	478.253565
ΔH_f, kcal/mol:	91.19
Dipole, Da:	5.85
IP(EA), eV:	-7.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,2S,6R,8S)-4-[(1S)-1-chloro-2-phenylethyl]-2,9,9-trimethyl-N,N-bis(trimethylsilyl)-3,5-dioxa-4-boranuidatricyclo[6.1.1.02,6]decan-4-amine

Drug info:

PubChemData

Smile

[B-]([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations