Geometry & MOs

Info

ID:	366207
PubChem CID:	127319640
Reduced:	NSO5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	331.071214
ΔH_f, kcal/mol:	-204.29
Dipole, Da:	4.74
IP(EA), eV:	-8.4(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-(4-fluorophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3CCCS(=O)(=O)C3)C

DOS

IR

Vibrations