Geometry & MOs

Info

ID:	160410
PubChem CID:	57309758
Reduced:	NO2C3H6 (2)
Stoich.:	AB2C3D6 (2)
Weight, g/mol:	876.669919
ΔH_f, kcal/mol:	-170.22
Dipole, Da:	5.1
IP(EA), eV:	-10.0(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadecyl 4-[3-hydroxy-2,4,6-trimethyl-5-(4-octadecoxy-4-oxo-1-sulfanylbutyl)phenyl]-4-sulfanylbutanoate

Drug info:

PubChemData

Smile

C(CO)N(COC(=O)CN)C=O

DOS

IR

Vibrations