Geometry & MOs

Info

ID:	376109
PubChem CID:	134222112
Reduced:	FNOSC14H20 (1)
Stoich.:	ABCDE14F20 (1)
Weight, g/mol:	527.140259
ΔH_f, kcal/mol:	-83.69
Dipole, Da:	3.21
IP(EA), eV:	-8.37(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-[[4-[2-(cyclodecapentaenyl)-2-oxoethoxy]phenyl]methyl]-2,4-dioxo-1,3-thiazolidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1(N(C(C(O1)C2=CC=C(C=C2)SC)CF)C)C

DOS

IR

Vibrations