Geometry & MOs

Info

ID:	79124
PubChem CID:	49746974
Reduced:	SO2N7H11C13 (1)
Stoich.:	AB2C7D11E13 (1)
Weight, g/mol:	417.154938
ΔH_f, kcal/mol:	112.35
Dipole, Da:	3.69
IP(EA), eV:	-9.97(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-7-methyl-3-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations