Geometry & MOs

Info

ID:	168180
PubChem CID:	74933526
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	535.3752
ΔH_f, kcal/mol:	-43.42
Dipole, Da:	6.25
IP(EA), eV:	-8.06(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadecyl 5-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)O.CC1(C2=CC=CC=C2N(C1=CN=NC3=CC=CC=C3OC)C)C

DOS

IR

Vibrations