Geometry & MOs

Info

ID:	384612
PubChem CID:	134977321
Reduced:	PWO5H17C18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	474.263897
ΔH_f, kcal/mol:	27.28
Dipole, Da:	14.11
IP(EA), eV:	-7.26(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis[(2S,5S)-2,5-di(propan-2-yl)phospholan-1-yl]-1-benzothiophene

Drug info:

PubChemData

Smile

CC(=C1C(P1C2=CC=CC=C2)(C)C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

DOS

IR

Vibrations