Geometry & MOs

Info

ID:	390016
PubChem CID:	134996588
Reduced:	NB2Br2C11H17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	242.079908
ΔH_f, kcal/mol:	-123.96
Dipole, Da:	3.06
IP(EA), eV:	-9.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-4,7-dithiadispiro[4.0.46.45]tetradecan-11-one

Drug info:

PubChemData

Smile

B(C)(N(B(C)Br)C1=C(C=C(C=C1C)C)C)Br

DOS

IR

Vibrations