Geometry & MOs

Info

ID:	43719
PubChem CID:	10321694
Reduced:	SO2N3C26H35 (1)
Stoich.:	AB2C3D26E35 (1)
Weight, g/mol:	453.324294
ΔH_f, kcal/mol:	-30.25
Dipole, Da:	4.6
IP(EA), eV:	-8.5(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(hydroxymethyl)phenyl]-5-methyl-2-tetradecoxybenzamide

Drug info:

PubChemData

Smile

CCOCCOCCNCCCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations