Geometry & MOs

Info

ID:	431245
PubChem CID:	135171316
Reduced:	FNOSC8H8 (1)
Stoich.:	ABCDE8F8 (1)
Weight, g/mol:	232.032478
ΔH_f, kcal/mol:	-73.72
Dipole, Da:	6.03
IP(EA), eV:	-8.43(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(5-chloro-3,4-dihydro-2H-thiopyran-6-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CC2=C(C=C(N2)C(=O)F)SC1

DOS

IR

Vibrations