Geometry & MOs

Info

ID:	308451
PubChem CID:	125333144
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	382.138953
ΔH_f, kcal/mol:	-131.75
Dipole, Da:	3.38
IP(EA), eV:	-9.21(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-methyl-2-(4-oxo-6-propyl-5H-pyrimidin-2-yl)pyrazol-3-yl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCCOC(=O)CC[C@H]1C(=NC(=S)NC1=O)C

DOS

IR

Vibrations