Geometry & MOs

Info

ID:	61217
PubChem CID:	26707176
Reduced:	BrSN2O5H19C21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	447.023
ΔH_f, kcal/mol:	-116.18
Dipole, Da:	4.48
IP(EA), eV:	-8.47(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)NC3=CC4=C(C=C3Br)OCCO4

DOS

IR

Vibrations