Geometry & MOs

Info

ID:	79113
PubChem CID:	49746833
Reduced:	SO2N5H13C16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	387.144373
ΔH_f, kcal/mol:	103.69
Dipole, Da:	3.78
IP(EA), eV:	-9.41(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1-phenylpyrazol-4-yl)-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)/C=C/C2=CC=CS2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations