Geometry & MOs

Info

ID:	131841
PubChem CID:	51267986
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	349.080636
ΔH_f, kcal/mol:	-20.14
Dipole, Da:	3.05
IP(EA), eV:	-9.03(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)N(C)C(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC

DOS

IR

Vibrations