Geometry & MOs

Info

ID:	47267
PubChem CID:	10531030
Reduced:	NSO3C14H21 (2)
Stoich.:	ABC3D14E21 (2)
Weight, g/mol:	566.527411
ΔH_f, kcal/mol:	-191.57
Dipole, Da:	2.18
IP(EA), eV:	-8.07(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-octanoyloxytetradecan-2-yl tetradecanoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1SCN2CCOCCOCCN(CCOCCOCC2)CSC3=CC=CC=C3OC

DOS

IR

Vibrations