Geometry & MOs

Info

ID:	149483
PubChem CID:	53789156
Reduced:	NF3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	350.134051
ΔH_f, kcal/mol:	-212.36
Dipole, Da:	3.33
IP(EA), eV:	-9.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyloct-4-en-1,7-diyn-3-yl 2-(1-benzothiophen-2-yl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CN=C1C(C(=O)C(=COC)O1)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations