Geometry & MOs

Info

ID:	55823
PubChem CID:	17396617
Reduced:	ClNOF2H16C17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	347.099143
ΔH_f, kcal/mol:	-117.33
Dipole, Da:	5.8
IP(EA), eV:	-9.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations