Geometry & MOs

Info

ID:	369601
PubChem CID:	127334860
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	-45.45
Dipole, Da:	2.75
IP(EA), eV:	-8.69(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)NCC3CCCN3C4=NN=CC=C4

DOS

IR

Vibrations