Geometry & MOs

Info

ID:	64267
PubChem CID:	29198770
Reduced:	INO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	-149.6
Dipole, Da:	6.5
IP(EA), eV:	-8.97(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-acetamido-N-(1,3-benzodioxol-5-yl)-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)COC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3I

DOS

IR

Vibrations