Geometry & MOs

Info

ID:	49478
PubChem CID:	11533083
Reduced:	O3N7C25H33 (1)
Stoich.:	A3B7C25D33 (1)
Weight, g/mol:	479.243638
ΔH_f, kcal/mol:	-57.61
Dipole, Da:	1.92
IP(EA), eV:	-7.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[2-[[heptan-4-yl(3-phenylpropanoyl)amino]methyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)NC(=O)C3=CC(=NC(=N3)N4CCOCC4)N5CCN(CC5)CCO)C

DOS

IR

Vibrations