Geometry & MOs

Info

ID:	167114
PubChem CID:	74782988
Reduced:	SO2N5C20H27 (1)
Stoich.:	AB2C5D20E27 (1)
Weight, g/mol:	454.142324
ΔH_f, kcal/mol:	-39.36
Dipole, Da:	7.05
IP(EA), eV:	-8.78(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CC4CCCC4

DOS

IR

Vibrations