Geometry & MOs

Info

ID:	302768
PubChem CID:	124394962
Reduced:	SO4N5C22H25 (1)
Stoich.:	AB4C5D22E25 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	3.48
IP(EA), eV:	-8.69(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NN=C(N1C)SCC(=O)NC2=CC(=CC=C2)OC)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations