Geometry & MOs

Info

ID:	297505
PubChem CID:	117619337
Reduced:	PN5O6C23H34 (1)
Stoich.:	AB5C6D23E34 (1)
Weight, g/mol:	654.554688
ΔH_f, kcal/mol:	-182.02
Dipole, Da:	10.07
IP(EA), eV:	-9.13(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-hydroxyethyl(methyl)amino]propanoyl-(2-tetradecanoyloxyethyl)amino]ethyl tetradecanoate

Drug info:

PubChemData

Smile

CC(C)CN(C(C)C)POCC1C(CC(O1)N2C3=NC=NC(=O)C3=C(N2)C#CCCOC(=O)C)O

DOS

IR

Vibrations