Geometry & MOs

Info

ID:	137054
PubChem CID:	52145152
Reduced:	SO3N7C21H27 (1)
Stoich.:	AB3C7D21E27 (1)
Weight, g/mol:	295.110296
ΔH_f, kcal/mol:	-23.31
Dipole, Da:	9.9
IP(EA), eV:	-8.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(1-ethyl-3-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1CSC2=NN=C(O2)CCC3=C(N(N=C3)C)C)N4CCCC4

DOS

IR

Vibrations