Geometry & MOs

Info

ID:	137034
PubChem CID:	52142124
Reduced:	BrON3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	215.072848
ΔH_f, kcal/mol:	22.14
Dipole, Da:	3.33
IP(EA), eV:	-9.48(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CN2C=C(C=N2)Br

DOS

IR

Vibrations