Geometry & MOs

Info

ID:	189261
PubChem CID:	77835462
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	821.499555
ΔH_f, kcal/mol:	-119.54
Dipole, Da:	4.68
IP(EA), eV:	-8.43(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[diphenyl-(4-propan-2-yloxyphenyl)methoxy]-2-octadec-9-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCCC2=CC=CC=C2)C(=O)O.C1CN(SC1)C(=O)N

DOS

IR

Vibrations