Geometry & MOs

Info

ID:	149684
PubChem CID:	53789358
Reduced:	NO4H7C11 (2)
Stoich.:	AB4C7D11 (2)
Weight, g/mol:	708.674409
ΔH_f, kcal/mol:	-158.56
Dipole, Da:	2.64
IP(EA), eV:	-9.19(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-amino-17-[(16-decoxy-16-oxohexadecyl)amino]octadecanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C=C3OC(=O)N)O)C4=CC=C(C=C4)O)[N+](=O)[O-]

DOS

IR

Vibrations