Geometry & MOs

Info

ID:	229720
PubChem CID:	87568643
Reduced:	FSO3N5C24H30 (1)
Stoich.:	ABC3D5E24F30 (1)
Weight, g/mol:	356.29266
ΔH_f, kcal/mol:	-40.19
Dipole, Da:	5.05
IP(EA), eV:	-8.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-O-(2-butyloctyl) 1-O-methyl octanedioate

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CN(N=N4)CCCCC(=O)NO)/C3)S

DOS

IR

Vibrations