Geometry & MOs

Info

ID:	243880
PubChem CID:	99300562
Reduced:	NSF2O5C20H23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	403.145344
ΔH_f, kcal/mol:	-260.23
Dipole, Da:	5.83
IP(EA), eV:	-8.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCSCC(=O)NCC2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations