Geometry & MOs

Info

ID:	159813
PubChem CID:	57288777
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	626.401966
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	2.05
IP(EA), eV:	-8.78(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydroxypropoxy)-3-[hexadecoxy(hydroxy)phosphoryl]oxypropan-2-yl] (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

Drug info:

PubChemData

Smile

CC1(CC(CC(N1CC2CO2)(C)C)OC3=CC=CC=C3)C

DOS

IR

Vibrations