Geometry & MOs

Info

ID:	400676
PubChem CID:	135048695
Reduced:	NSH21C24 (1)
Stoich.:	ABC21D24 (1)
Weight, g/mol:	479.13931
ΔH_f, kcal/mol:	87.68
Dipole, Da:	2.39
IP(EA), eV:	-7.92(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(bromomethyl)-4,4,5,5-tetramethyl-2-trityloxy-1,3-dioxa-2-boranuidacyclopentane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=CS3)C4=CC=CC(=C4)C

DOS

IR

Vibrations