Geometry & MOs

Info

ID:	410480
PubChem CID:	135083278
Reduced:	SN3H7C10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	674.20616
ΔH_f, kcal/mol:	110.75
Dipole, Da:	2.3
IP(EA), eV:	-9.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(11-diphenylphosphoryl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13-pentaenyl)methyl]-3-[(1S)-1-phenylethyl]imidazol-1-ium;bromide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C#N)C2=NC=CS2

DOS

IR

Vibrations