Geometry & MOs

Info

ID:	167248
PubChem CID:	74797714
Reduced:	SN6O6C24H28 (1)
Stoich.:	AB6C6D24E28 (1)
Weight, g/mol:	369.143704
ΔH_f, kcal/mol:	-141.55
Dipole, Da:	3.47
IP(EA), eV:	-9.03(-1.54)
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]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

DOS

IR

Vibrations