Geometry & MOs

Info

ID:	329524
PubChem CID:	126737817
Reduced:	PN2S2O3C53H112 (1)
Stoich.:	AB2C2D3E53F112 (1)
Weight, g/mol:	1087.973001
ΔH_f, kcal/mol:	-391.81
Dipole, Da:	5.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750766
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCC(CCCCCCCCOP(=O)(NCC[N+](C)(C)C)OCCCCCCCCCC(CCCCCCCC)SCCCCCC)SCCCCCC

DOS

IR

Vibrations