Geometry & MOs

Info

ID:	166293
PubChem CID:	74664621
Reduced:	SN2F3O3C21H24 (1)
Stoich.:	AB2C3D3E21F24 (1)
Weight, g/mol:	392.97673
ΔH_f, kcal/mol:	-214.89
Dipole, Da:	5.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770915
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromophenyl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)C(F)(F)F

DOS

IR

Vibrations