Geometry & MOs

Info

ID:	232334
PubChem CID:	87576003
Reduced:	ON3C30H39 (1)
Stoich.:	AB3C30D39 (1)
Weight, g/mol:	1075.031584
ΔH_f, kcal/mol:	-3.92
Dipole, Da:	4.16
IP(EA), eV:	-8.78(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetradecyl 2-octadecyl-2-[(3-oxo-3-tetradecoxypropyl)sulfanylmethyl]icosanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H]2C[C@@H](CCN2C3C4=CC=CC=C4[C@@]5(CNC[C@H]5C=O)CN3)C6=CC=CC=C6

DOS

IR

Vibrations