Geometry & MOs

Info

ID:	375665
PubChem CID:	134220726
Reduced:	SO4C20H32 (1)
Stoich.:	AB4C20D32 (1)
Weight, g/mol:	1014.392973
ΔH_f, kcal/mol:	-199.54
Dipole, Da:	5.55
IP(EA), eV:	-8.78(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

3-methyl-4,9-bis[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-1,4,6,6-tetraphenoxy-2,5,7-triaza-1,4,6-triphosphoniabicyclo[6.1.0]nonane

Drug info:

PubChemData

Smile

CCCC(C(=O)OCCCCOS(=O)C1=CC=C(C=C1)C)C(C)(C)C

DOS

IR

Vibrations