Geometry & MOs

Info

ID:	366007
PubChem CID:	127319312
Reduced:	OSN4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	382.121195
ΔH_f, kcal/mol:	99.72
Dipole, Da:	5.19
IP(EA), eV:	-9.35(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C3=NC(=NO3)CN4C=CC=N4

DOS

IR

Vibrations