Geometry & MOs

Info

ID:	131088
PubChem CID:	51154583
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	381.050479
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	3.8
IP(EA), eV:	-8.06(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)CSC)OCC

DOS

IR

Vibrations