Geometry & MOs

Info

ID:	129776
PubChem CID:	51073819
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	257.088578
ΔH_f, kcal/mol:	-80.16
Dipole, Da:	3.9
IP(EA), eV:	-9.32(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)sulfanyl-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/NC1=S

DOS

IR

Vibrations