Geometry & MOs

Info

ID:	126463
PubChem CID:	50965704
Reduced:	SO2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	309.162332
ΔH_f, kcal/mol:	15.34
Dipole, Da:	6.23
IP(EA), eV:	-9.19(-0.92)
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-[(1-prop-2-enylpyrrolidin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN(C1CC2=CC=CC=C2C1)C(=O)C3=CC=C(O3)CSC4=NC=CC=N4

DOS

IR

Vibrations