Geometry & MOs

Info

ID:	245329
PubChem CID:	99443341
Reduced:	SO2N6C24H26 (1)
Stoich.:	AB2C6D24E26 (1)
Weight, g/mol:	444.168522
ΔH_f, kcal/mol:	49.75
Dipole, Da:	4.26
IP(EA), eV:	-8.53(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1,3-benzodioxol-5-yl)-5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=C(N(N=C3)C4=NN=C(C=C4)OC)CC)C

DOS

IR

Vibrations