Geometry & MOs

Info

ID:	357765
PubChem CID:	127294544
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	368.148455
ΔH_f, kcal/mol:	-17.26
Dipole, Da:	4.89
IP(EA), eV:	-8.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)C3=CNC4=C(C3=O)C=CC(=N4)C

DOS

IR

Vibrations