Geometry & MOs

Info

ID:	55910
PubChem CID:	17397354
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	331.071214
ΔH_f, kcal/mol:	-101.4
Dipole, Da:	2.81
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1)C(=O)OCC(=O)NC2=NOC(=C2)C)C

DOS

IR

Vibrations