Geometry & MOs

Info

ID:	38016
PubChem CID:	8026412
Reduced:	OSN4H20C23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	359.119129
ΔH_f, kcal/mol:	97.3
Dipole, Da:	6.65
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-2-methoxyphenoxy)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CS5

DOS

IR

Vibrations