Geometry & MOs

Info

ID:	218596
PubChem CID:	85089663
Reduced:	N2O4C29H42 (1)
Stoich.:	A2B4C29D42 (1)
Weight, g/mol:	482.294331
ΔH_f, kcal/mol:	-172.87
Dipole, Da:	3.17
IP(EA), eV:	-8.99(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hexylsulfanyl-2-(octanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(NC(=O)N2)C)C(=O)OC

DOS

IR

Vibrations