Geometry & MOs

Info

ID:	268228
PubChem CID:	103598478
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	316.088164
ΔH_f, kcal/mol:	-74.05
Dipole, Da:	7.03
IP(EA), eV:	-8.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)C=CC(=O)NCC3=CN=C(S3)C

DOS

IR

Vibrations