Geometry & MOs

Info

ID:	312531
PubChem CID:	126606297
Reduced:	P4S8O9C27H57 (1)
Stoich.:	A4B8C9D27E57 (1)
Weight, g/mol:	627.097581
ΔH_f, kcal/mol:	-720.54
Dipole, Da:	5.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.777036
Charge, e:	1

Chem-info

IUPAC name:

[3-[bis(trifluoromethylsulfonyl)amino]pentan-3-ylamino]-triphenylphosphanium

Drug info:

PubChemData

Smile

CC(C)CO[P+](=S)SCC(C)OP(=S)(OC(C)CSP(=S)(OCC(C)C)OCC(C)C)SCC(C)OP(=S)(OC(C)C)SCCC(=O)O

DOS

IR

Vibrations