Geometry & MOs

Info

ID:	132448
PubChem CID:	51362970
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	365.087492
ΔH_f, kcal/mol:	-71.01
Dipole, Da:	3.93
IP(EA), eV:	-8.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCC12CNCC(C1O)(CN(C2)C(=S)NC(=O)C3=CC=CC=C3)CC

DOS

IR

Vibrations