Geometry & MOs

Info

ID:	35982
PubChem CID:	7980595
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	407.119129
ΔH_f, kcal/mol:	-180.01
Dipole, Da:	2.03
IP(EA), eV:	-9.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[4-(4-methylphenoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations