Geometry & MOs

Info

ID:	228959
PubChem CID:	87566431
Reduced:	FOS2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	321.172879
ΔH_f, kcal/mol:	26.16
Dipole, Da:	3.06
IP(EA), eV:	-9.1(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,2-dimethyl-7-(1-naphthalen-1-ylethylamino)hept-5-en-3-ynoic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=NSN=C4)/C3)S

DOS

IR

Vibrations