Geometry & MOs

Info

ID:	353086
PubChem CID:	127284243
Reduced:	SO2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	373.120861
ΔH_f, kcal/mol:	4.02
Dipole, Da:	5.35
IP(EA), eV:	-9.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-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)CNC(=O)C2=CC3=C(S2)CCC3

DOS

IR

Vibrations