Geometry & MOs

Info

ID:	138501
PubChem CID:	52375391
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	389.06987
ΔH_f, kcal/mol:	-57.97
Dipole, Da:	4.91
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC[C@@H]1C(=O)NC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations