Geometry & MOs

Info

ID:	56169
PubChem CID:	17422339
Reduced:	FN2O2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	326.072513
ΔH_f, kcal/mol:	-32.86
Dipole, Da:	6.05
IP(EA), eV:	-9.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-(1,3-benzothiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F

DOS

IR

Vibrations