Geometry & MOs

Info

ID:	329523
PubChem CID:	126737813
Reduced:	PN2S2O3C55H100 (1)
Stoich.:	AB2C2D3E55F100 (1)
Weight, g/mol:	919.7852
ΔH_f, kcal/mol:	-290.99
Dipole, Da:	1.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750996
Charge, e:	1

Chem-info

IUPAC name:

2-[[9-hexylsulfanyloctadecoxy(10-hexylsulfanyloctadecoxy)phosphoryl]amino]ethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCC(CCCCCCCCOP(=O)(NCC[N+](C)(C)C)OCCCCCCCCCC(CCCCCCCC)SCC1=CC=CC=C1)SCC2=CC=CC=C2

DOS

IR

Vibrations