Geometry & MOs

Info

ID:	403941
PubChem CID:	135062914
Reduced:	NO9C21H27 (2)
Stoich.:	AB9C21D27 (2)
Weight, g/mol:	917.18978
ΔH_f, kcal/mol:	-730.65
Dipole, Da:	8.1
IP(EA), eV:	-8.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

bromorhenium;14-diphenylphosphaniumyltetradec-7-ynyl(diphenyl)phosphanium;methanone

Drug info:

PubChemData

Smile

CC(=O)OC1C(C2C(=O)NC3=CC=C(C=C3)NC(=O)C4C(C(C(C(O4)OCCCCCC#CCCCCCOC(C1OC(=O)C)O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations