Geometry & MOs

Info

ID:	425671
PubChem CID:	135127301
Reduced:	NS2O3C50H101 (1)
Stoich.:	AB2C3D50E101 (1)
Weight, g/mol:	664.611809
ΔH_f, kcal/mol:	-362.27
Dipole, Da:	1.88
IP(EA), eV:	-8.86(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(ethylamino)-2-(octadecanoylamino)-3-oxopropyl] octadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(CNC(=O)SCC(C)(C)OCCC(C)(C)OC)SCCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations