Geometry & MOs

Info

ID:	36017
PubChem CID:	7980642
Reduced:	NSO3H21C22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	397.114793
ΔH_f, kcal/mol:	-46.46
Dipole, Da:	4.76
IP(EA), eV:	-8.26(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethoxyphenoxy)phenyl]-2-(4-fluorophenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3

DOS

IR

Vibrations