Geometry & MOs

Info

ID:	137047
PubChem CID:	52143479
Reduced:	SO2N6C16H20 (1)
Stoich.:	AB2C6D16E20 (1)
Weight, g/mol:	323.105211
ΔH_f, kcal/mol:	19.18
Dipole, Da:	7.84
IP(EA), eV:	-9.51(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-oxopropyl)acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=NC(=O)C=C(N1)CSC2=NN=C(O2)C3=CC(=NN3C)C

DOS

IR

Vibrations