Geometry & MOs

Info

ID:	157633
PubChem CID:	56436187
Reduced:	SO4N5H19C20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	401.152161
ΔH_f, kcal/mol:	-25.84
Dipole, Da:	6.93
IP(EA), eV:	-9.34(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations