Geometry & MOs

Info

ID:	41114
PubChem CID:	8145276
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-90.84
Dipole, Da:	4.18
IP(EA), eV:	-9.25(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@@H](C1=CC=C(C=C1)OC)C(C#N)C#N)C(=O)C

DOS

IR

Vibrations