Geometry & MOs

Info

ID:	353087
PubChem CID:	127284244
Reduced:	SO3N5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	345.089561
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	8.09
IP(EA), eV:	-9.02(-1.3)
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[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)NCC4=NC(=NO4)C

DOS

IR

Vibrations