Geometry & MOs

Info

ID:	328205
PubChem CID:	126697635
Reduced:	SO2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	487.43893
ΔH_f, kcal/mol:	-34.21
Dipole, Da:	5.43
IP(EA), eV:	-8.55(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadecan-9-yl 8-(benzylamino)octanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC=C(S2)COC(=O)N)N

DOS

IR

Vibrations