Geometry & MOs

Info

ID:	126901
PubChem CID:	50983506
Reduced:	ON4H16C20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	349.157246
ΔH_f, kcal/mol:	90.81
Dipole, Da:	7.89
IP(EA), eV:	-8.71(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

Drug info:

PubChemData

Smile

C1C(C2=CNN(C2=NC1=O)C3=CC=CC=C3)C4=C5C=CNC5=CC=C4

DOS

IR

Vibrations