Geometry & MOs

Info

ID:	167115
PubChem CID:	74783041
Reduced:	SO4N6C21H22 (1)
Stoich.:	AB4C6D21E22 (1)
Weight, g/mol:	474.087702
ΔH_f, kcal/mol:	-3.85
Dipole, Da:	7.79
IP(EA), eV:	-9.13(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

DOS

IR

Vibrations