Geometry & MOs

Info

ID:	56170
PubChem CID:	17422340
Reduced:	SN2O3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	276.056863
ΔH_f, kcal/mol:	-43.85
Dipole, Da:	3.17
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations