Geometry & MOs

Info

ID:	167803
PubChem CID:	74879404
Reduced:	N3C18H29 (1)
Stoich.:	A3B18C29 (1)
Weight, g/mol:	267.072928
ΔH_f, kcal/mol:	14.26
Dipole, Da:	3.36
IP(EA), eV:	-8.53(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-2-thiomorpholin-4-ylphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1C(C(NN1)C)NC(C2CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations