Geometry & MOs

Info

ID:	167247
PubChem CID:	74797713
Reduced:	SO5N6C25H30 (1)
Stoich.:	AB5C6D25E30 (1)
Weight, g/mol:	528.179104
ΔH_f, kcal/mol:	-111.33
Dipole, Da:	3.79
IP(EA), eV:	-9.03(-1.44)
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-(furan-2-yl)pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

DOS

IR

Vibrations